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

Systemtic Name: N-[4-[(2-methylpropanoylamino)carbamoyl]phenyl]-3-nitro-4-oxidanyl-benzenesulfonamide Openeye Name: 4-hydroxy-N-[4-[(2-methylpropanoylamino)carbamoyl]phenyl]-3-nitro-benzenesulfonamide CAS Name: 4-hydroxy-N-[4-[[(2-methyl-1-oxopropyl)hydrazo]-oxomethyl]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-hydroxy-N-[4-[(2-methylpropanoylamino)carbamoyl]phenyl]-3-nitrobenzenesulfonamide Traditional Name: 4-hydroxy-N-[4-[(isobutyrylamino)carbamoyl]phenyl]-3-nitro-benzenesulfonamide Formula: C17H18N4O7S MolecularWeight: 422.41242

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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(=C(C=C2)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O7S/c1-10(2)16(23)18-19-17(24)11-3-5-12(6-4-11)20-29(27,28)13-7-8-15(22)14(9-13)21(25)26/h3-10,20,22H,1-2H3,(H,18,23)(H,19,24)