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

Systemtic Name: 4-methyl-N-[4-[(2-methylpropanoylamino)carbamoyl]phenyl]-3-nitro-benzenesulfonamide Openeye Name: 4-methyl-N-[4-[(2-methylpropanoylamino)carbamoyl]phenyl]-3-nitro-benzenesulfonamide CAS Name: 4-methyl-N-[4-[[(2-methyl-1-oxopropyl)hydrazo]-oxomethyl]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-methyl-N-[4-[(2-methylpropanoylamino)carbamoyl]phenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-[(isobutyrylamino)carbamoyl]phenyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C18H20N4O6S MolecularWeight: 420.4396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NNC(=O)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NNC(=O)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O6S/c1-11(2)17(23)19-20-18(24)13-5-7-14(8-6-13)21-29(27,28)15-9-4-12(3)16(10-15)22(25)26/h4-11,21H,1-3H3,(H,19,23)(H,20,24)