N-[3-(benzimidazol-1-yl)propyl]-2,3-dimethyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[3-(benzimidazol-1-yl)propyl]-2,3-dimethyl-5-nitro-benzenesulfonamide Openeye Name: N-[3-(benzimidazol-1-yl)propyl]-2,3-dimethyl-5-nitro-benzenesulfonamide CAS Name: N-[3-(1-benzimidazolyl)propyl]-2,3-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-[3-(benzimidazol-1-yl)propyl]-2,3-dimethyl-5-nitrobenzenesulfonamide Traditional Name: N-[3-(benzimidazol-1-yl)propyl]-2,3-dimethyl-5-nitro-benzenesulfonamide Formula: C18H20N4O4S MolecularWeight: 388.4408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NCCCN2C=NC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NCCCN2C=NC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O4S/c1-13-10-15(22(23)24)11-18(14(13)2)27(25,26)20-8-5-9-21-12-19-16-6-3-4-7-17(16)21/h3-4,6-7,10-12,20H,5,8-9H2,1-2H3