1-butyl-N,N-diethyl-2-[[(2-methoxy-5-nitro-phenyl)amino]methyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-N,N-diethyl-2-[[(2-methoxy-5-nitro-phenyl)amino]methyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-N,N-diethyl-2-[(2-methoxy-5-nitro-anilino)methyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-N,N-diethyl-2-[(2-methoxy-5-nitroanilino)methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-N,N-diethyl-2-[(2-methoxy-5-nitroanilino)methyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-N,N-diethyl-2-[(2-methoxy-5-nitro-anilino)methyl]benzimidazole-5-sulfonamide Formula: C23H31N5O5S MolecularWeight: 489.58774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1CNC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1CNC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C23H31N5O5S/c1-5-8-13-27-21-11-10-18(34(31,32)26(6-2)7-3)15-19(21)25-23(27)16-24-20-14-17(28(29)30)9-12-22(20)33-4/h9-12,14-15,24H,5-8,13,16H2,1-4H3