AC1MRL6M
[4-[(4-methylphenyl)sulfonyl-(pyridine-4-carbonyl)amino]naphthalen-1-yl] pyridine-4-carboxylate
Also Known As: Oprea1_079951|Oprea1_859671|F0808-1118|SR-01000454195-1|4-[N-(4-METHYLBENZENESULFONYL)PYRIDINE-4-AMIDO]NAPHTHALEN-1-YL PYRIDINE-4-CARBOXYLATE|4-(N-tosylisonicotinamido)naphthalen-1-yl isonicotinate|[4-[(4-methylphenyl)sulfonyl-(pyridine-4-carbonyl)amino]naphthalen-1-yl] pyridine-4-carboxylate|isonicotinic acid [4-[isonicotinoyl(tosyl)amino]-1-naphthyl] ester|[(4-isonicotinoxy-1-naphthyl)isonicotinoylamino](oxo)-p-tolyl-lambda-sulfaniumolate|[4-[(4-methylphenyl)sulfonyl-pyridin-4-ylcarbonyl-amino]naphthalen-1-yl] pyridine-4-carboxylate|4-pyridinecarboxylic acid [4-[(4-methylphenyl)sulfonyl-[oxo(pyridin-4-yl)methyl]amino]-1-naphthalenyl] ester
| Molecular Formula | C29H21N3O5S |
|---|---|
| Molecular Weight | 523.1202 g/mol |
| LogP | 5.19312 |
| Topological Polar Surface Area | 106.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 523.1202 |
| Monoisotopic Mass | 523.1202 |
| Heavy Atoms | 38 |
| Complexity | 1740.6483 |
Chemical Identifiers
| CAS Number | 397280-93-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=C(C3=CC=CC=C32)OC(=O)C4=CC=NC=C4)C(=O)C5=CC=NC=C5 |
Product Overview
AC1MRL6M (CAS 397280-93-2), with molecular formula C29H21N3O5S and molecular weight 523.1202 g/mol. IUPAC: [4-[(4-methylphenyl)sulfonyl-(pyridine-4-carbonyl)amino]naphthalen-1-yl] pyridine-4-carboxylate.