[(1R)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [(1R)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [(1R)-2-(4-methylanilino)-2-oxo-1-phenyl-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [(1R)-2-keto-1-phenyl-2-(p-toluidino)ethyl] ester Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C26H26N2O5S/c1-19-9-13-22(14-10-19)27-25(29)24(20-7-3-2-4-8-20)33-26(30)21-11-15-23(16-12-21)34(31,32)28-17-5-6-18-28/h2-4,7-16,24H,5-6,17-18H2,1H3,(H,27,29)/t24-/m1/s1