N,N-dimethyl-2-[[(2-methyl-5-nitro-phenyl)amino]methyl]-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: N,N-dimethyl-2-[[(2-methyl-5-nitro-phenyl)amino]methyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: N,N-dimethyl-2-[(2-methyl-5-nitro-anilino)methyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: N,N-dimethyl-2-[(2-methyl-5-nitroanilino)methyl]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: N,N-dimethyl-2-[(2-methyl-5-nitroanilino)methyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: N,N-dimethyl-2-[(2-methyl-5-nitro-anilino)methyl]-1-propyl-benzimidazole-5-sulfonamide Formula: C20H25N5O4S MolecularWeight: 431.5086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CNC3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CNC3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H25N5O4S/c1-5-10-24-19-9-8-16(30(28,29)23(3)4)12-18(19)22-20(24)13-21-17-11-15(25(26)27)7-6-14(17)2/h6-9,11-12,21H,5,10,13H2,1-4H3