N-(2-methoxy-5-nitro-phenyl)-4-[(2-methylpropanoylamino)carbamoyl]benzenesulfonamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-4-[(2-methylpropanoylamino)carbamoyl]benzenesulfonamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-4-[(2-methylpropanoylamino)carbamoyl]benzenesulfonamide CAS Name: N-(2-methoxy-5-nitrophenyl)-4-[[(2-methyl-1-oxopropyl)hydrazo]-oxomethyl]benzenesulfonamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-4-[(2-methylpropanoylamino)carbamoyl]benzenesulfonamide Traditional Name: 4-[(isobutyrylamino)carbamoyl]-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide Formula: C18H20N4O7S MolecularWeight: 436.439

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O7S/c1-11(2)17(23)19-20-18(24)12-4-7-14(8-5-12)30(27,28)21-15-10-13(22(25)26)6-9-16(15)29-3/h4-11,21H,1-3H3,(H,19,23)(H,20,24)