[2-oxidanylidene-2-[(4-sulfamoylphenyl)methylamino]ethyl] 1-(phenylsulfonyl)piperidine-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-sulfamoylphenyl)methylamino]ethyl] 1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: 1-(benzenesulfonyl)-2-piperidinecarboxylic acid [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] ester IUPAC Name: [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: 1-besylpipecolinic acid [2-keto-2-[(4-sulfamoylbenzyl)amino]ethyl] ester Formula: C21H25N3O7S2 MolecularWeight: 495.5691

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN(C(C1)C(=O)OCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O7S2/c22-32(27,28)17-11-9-16(10-12-17)14-23-20(25)15-31-21(26)19-8-4-5-13-24(19)33(29,30)18-6-2-1-3-7-18/h1-3,6-7,9-12,19H,4-5,8,13-15H2,(H,23,25)(H2,22,27,28)