N-[4-[(2-methylpropanoylamino)carbamoyl]phenyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[4-[(2-methylpropanoylamino)carbamoyl]phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-[(2-methylpropanoylamino)carbamoyl]phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-[[(2-methyl-1-oxopropyl)hydrazo]-oxomethyl]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-[(2-methylpropanoylamino)carbamoyl]phenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-[(isobutyrylamino)carbamoyl]phenyl]-3-nitro-benzenesulfonamide Formula: C17H18N4O6S MolecularWeight: 406.41302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O6S/c1-11(2)16(22)18-19-17(23)12-6-8-13(9-7-12)20-28(26,27)15-5-3-4-14(10-15)21(24)25/h3-11,20H,1-2H3,(H,18,22)(H,19,23)