2-methyl-1-[[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]methyl]benzimidazole

Systemtic Name: 2-methyl-1-[[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]methyl]benzimidazole Openeye Name: 2-methyl-1-[[1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]methyl]benzimidazole CAS Name: 2-methyl-1-[[1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinyl]methyl]benzimidazole IUPAC Name: 2-methyl-1-[[1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-4-yl]methyl]benzimidazole Traditional Name: 2-methyl-1-[[1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]methyl]benzimidazole Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)CN3C(=NC4=CC=CC=C43)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)CN3C(=NC4=CC=CC=C43)C

InChI

InChI=1S/C21H24N4O4S/c1-15-7-8-18(25(26)27)13-21(15)30(28,29)23-11-9-17(10-12-23)14-24-16(2)22-19-5-3-4-6-20(19)24/h3-8,13,17H,9-12,14H2,1-2H3