(4-cyanophenyl)methyl (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: (4-cyanophenyl)methyl (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: (4-cyanophenyl)methyl (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butyric acid (4-cyanobenzyl) ester Formula: C19H19ClN2O4S MolecularWeight: 406.88316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=C(C=C1)C#N)NS(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=C(C=C1)C#N)NS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H19ClN2O4S/c1-13(2)18(22-27(24,25)17-9-7-16(20)8-10-17)19(23)26-12-15-5-3-14(11-21)4-6-15/h3-10,13,18,22H,12H2,1-2H3/t18-/m0/s1