4-(phenylmethoxycarbonylamino)-3-[(4-sulfamoylphenyl)carbonylamino]piperidine-1-carboxylic acid

Systemtic Name: 4-(phenylmethoxycarbonylamino)-3-[(4-sulfamoylphenyl)carbonylamino]piperidine-1-carboxylic acid Openeye Name: 4-(benzyloxycarbonylamino)-3-[(4-sulfamoylbenzoyl)amino]piperidine-1-carboxylic acid CAS Name: 3-[[oxo-(4-sulfamoylphenyl)methyl]amino]-4-(phenylmethoxycarbonylamino)-1-piperidinecarboxylic acid IUPAC Name: 4-(phenylmethoxycarbonylamino)-3-[(4-sulfamoylbenzoyl)amino]piperidine-1-carboxylic acid Traditional Name: 4-(benzyloxycarbonylamino)-3-[(4-sulfamoylbenzoyl)amino]piperidine-1-carboxylic acid Formula: C21H24N4O7S MolecularWeight: 476.50286

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1NC(=O)OCC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N)C(=O)O

Isomeric SMILES

C1CN(CC(C1NC(=O)OCC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C21H24N4O7S/c22-33(30,31)16-8-6-15(7-9-16)19(26)23-18-12-25(21(28)29)11-10-17(18)24-20(27)32-13-14-4-2-1-3-5-14/h1-9,17-18H,10-13H2,(H,23,26)(H,24,27)(H,28,29)(H2,22,30,31)