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

Systemtic Name: [4-(4-aminocarbonylpiperidin-1-yl)carbonylphenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-(4-carbamoylpiperidine-1-carbonyl)phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[(4-carbamoyl-1-piperidinyl)-oxomethyl]phenyl] ester IUPAC Name: [4-(4-carbamoylpiperidine-1-carbonyl)phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-(4-carbamoylpiperidine-1-carbonyl)phenyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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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)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S/c1-14-3-4-15(2)19(13-14)29(26,27)28-18-7-5-17(6-8-18)21(25)23-11-9-16(10-12-23)20(22)24/h3-8,13,16H,9-12H2,1-2H3,(H2,22,24)