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

Systemtic Name: (4-methylphenyl)methyl (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: p-tolylmethyl (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butyric acid (4-methylbenzyl) ester Formula: C19H22ClNO4S MolecularWeight: 395.90028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)C(C(C)C)NS(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)[C@H](C(C)C)NS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H22ClNO4S/c1-13(2)18(19(22)25-12-15-6-4-14(3)5-7-15)21-26(23,24)17-10-8-16(20)9-11-17/h4-11,13,18,21H,12H2,1-3H3/t18-/m0/s1