methyl (3S)-3-[(3-chlorophenyl)-(4-methylphenyl)sulfonyl-amino]butanoate

Systemtic Name: methyl (3S)-3-[(3-chlorophenyl)-(4-methylphenyl)sulfonyl-amino]butanoate Openeye Name: methyl (3S)-3-[3-chloro-N-(p-tolylsulfonyl)anilino]butanoate CAS Name: (3S)-3-(3-chloro-N-(4-methylphenyl)sulfonylanilino)butanoic acid methyl ester IUPAC Name: methyl (3S)-3-(3-chloro-N-(4-methylphenyl)sulfonylanilino)butanoate Traditional Name: (3S)-3-(3-chloro-N-tosyl-anilino)butyric acid methyl ester Formula: C18H20ClNO4S MolecularWeight: 381.8737

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC(=CC=C2)Cl)C(C)CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC(=CC=C2)Cl)[C@@H](C)CC(=O)OC

InChI

InChI=1S/C18H20ClNO4S/c1-13-7-9-17(10-8-13)25(22,23)20(14(2)11-18(21)24-3)16-6-4-5-15(19)12-16/h4-10,12,14H,11H2,1-3H3/t14-/m0/s1