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

Systemtic Name: [4-[[3-(methylcarbamoyl)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[[3-(methylcarbamoyl)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[3-(methylcarbamoyl)anilino]-oxomethyl]phenyl] ester IUPAC Name: [4-[[3-(methylcarbamoyl)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[[3-(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=C1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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