[(1S)-2-[(4-chlorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-methylbenzenesulfonate

Systemtic Name: [(1S)-2-[(4-chlorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-methylbenzenesulfonate Openeye Name: [(1S)-2-(4-chloroanilino)-2-oxo-1-phenyl-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S)-2-(4-chloroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(4-chloroanilino)-2-oxo-1-phenylethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S)-2-(4-chloroanilino)-2-keto-1-phenyl-ethyl] ester Formula: C21H18ClNO4S MolecularWeight: 415.88992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H](C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H18ClNO4S/c1-15-7-13-19(14-8-15)28(25,26)27-20(16-5-3-2-4-6-16)21(24)23-18-11-9-17(22)10-12-18/h2-14,20H,1H3,(H,23,24)/t20-/m0/s1