[4-(4-benzamidopiperidin-1-yl)carbonylphenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-(4-benzamidopiperidin-1-yl)carbonylphenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-(4-benzamidopiperidine-1-carbonyl)phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[(4-benzamido-1-piperidinyl)-oxomethyl]phenyl] ester IUPAC Name: [4-(4-benzamidopiperidine-1-carbonyl)phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-(4-benzamidopiperidine-1-carbonyl)phenyl] ester Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)N3CCC(CC3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)N3CCC(CC3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H28N2O5S/c1-19-8-9-20(2)25(18-19)35(32,33)34-24-12-10-22(11-13-24)27(31)29-16-14-23(15-17-29)28-26(30)21-6-4-3-5-7-21/h3-13,18,23H,14-17H2,1-2H3,(H,28,30)