N-[4-[[(4-methylphenyl)carbonylamino]carbamoyl]phenyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[4-[[(4-methylphenyl)carbonylamino]carbamoyl]phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-[[(4-methylbenzoyl)amino]carbamoyl]phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-[[[(4-methylphenyl)-oxomethyl]hydrazo]-oxomethyl]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-[[(4-methylbenzoyl)amino]carbamoyl]phenyl]-3-nitrobenzenesulfonamide Traditional Name: 3-nitro-N-[4-[(p-toluoylamino)carbamoyl]phenyl]benzenesulfonamide Formula: C21H18N4O6S MolecularWeight: 454.45582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O6S/c1-14-5-7-15(8-6-14)20(26)22-23-21(27)16-9-11-17(12-10-16)24-32(30,31)19-4-2-3-18(13-19)25(28)29/h2-13,24H,1H3,(H,22,26)(H,23,27)