[2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl] 1-(3,4-dimethylphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl] 1-(3,4-dimethylphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: [2-oxo-2-[4-(1-piperidyl)anilino]ethyl] 1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-2-pyrrolidinecarboxylic acid [2-oxo-2-[4-(1-piperidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 1-(3,4-dimethylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylic acid [2-keto-2-(4-piperidinoanilino)ethyl] ester Formula: C26H33N3O6S MolecularWeight: 515.62172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OCC(=O)NC3=CC=C(C=C3)N4CCCCC4)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OCC(=O)NC3=CC=C(C=C3)N4CCCCC4)O)C

InChI

InChI=1S/C26H33N3O6S/c1-18-6-11-23(14-19(18)2)36(33,34)29-16-22(30)15-24(29)26(32)35-17-25(31)27-20-7-9-21(10-8-20)28-12-4-3-5-13-28/h6-11,14,22,24,30H,3-5,12-13,15-17H2,1-2H3,(H,27,31)