cyanomethyl (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate

CAS: 64187-44-6

Molecular Formula	`C18H18N2O4S`
Molecular Weight	358.4 g/mol
LogP	3.0
Topological Polar Surface Area	105.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	8
Exact Mass	358.09872
Heavy Atoms	25
Complexity	576.0

Chemical Identifiers

CAS Number	64187-44-6
SMILES	`CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)OCC#N`
InChIKey	`VUEMVRRTXLPPPX-KRWDZBQOSA-N`

📖 Product Overview

cyanomethyl (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate (CAS: 64187-44-6) is a chemical compound with molecular formula C18H18N2O4S and molecular weight 358.4 g/mol. Its IUPAC systematic name is cyanomethyl (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate. LogP 3.0 Topological Polar Surface Area 105.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 6 Rotatable Bonds 8 Exact Mass 358.09872 Heavy Atoms 25 Complexity 576.0 InChI Key: VUEMVRRTXLPPPX-KRWDZBQOSA-N. SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)OCC#N.

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