[4-[[2-(methylcarbamoyl)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[[2-(methylcarbamoyl)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[[2-(methylcarbamoyl)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[2-(methylcarbamoyl)anilino]-oxomethyl]phenyl] ester IUPAC Name: [4-[[2-(methylcarbamoyl)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[[2-(methylcarbamoyl)phenyl]carbamoyl]phenyl] ester Formula: C21H17N3O7S MolecularWeight: 455.44058

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CNC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O7S/c1-22-21(26)18-7-2-3-8-19(18)23-20(25)14-9-11-16(12-10-14)31-32(29,30)17-6-4-5-15(13-17)24(27)28/h2-13H,1H3,(H,22,26)(H,23,25)