2-methyl-1-[[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]methyl]benzimidazole

Systemtic Name: 2-methyl-1-[[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]methyl]benzimidazole Openeye Name: 2-methyl-1-[[1-(3-nitrophenyl)sulfonyl-4-piperidyl]methyl]benzimidazole CAS Name: 2-methyl-1-[[1-(3-nitrophenyl)sulfonyl-4-piperidinyl]methyl]benzimidazole IUPAC Name: 2-methyl-1-[[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]methyl]benzimidazole Traditional Name: 2-methyl-1-[[1-(3-nitrophenyl)sulfonyl-4-piperidyl]methyl]benzimidazole Formula: C20H22N4O4S MolecularWeight: 414.47808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CC3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2N1CC3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4S/c1-15-21-19-7-2-3-8-20(19)23(15)14-16-9-11-22(12-10-16)29(27,28)18-6-4-5-17(13-18)24(25)26/h2-8,13,16H,9-12,14H2,1H3