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

Systemtic Name: 1-[[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]methyl]benzimidazole Openeye Name: 1-[[1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]methyl]benzimidazole CAS Name: 1-[[1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinyl]methyl]benzimidazole IUPAC Name: 1-[[1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-4-yl]methyl]benzimidazole Traditional Name: 1-[[1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]methyl]benzimidazole Formula: C20H22N4O4S MolecularWeight: 414.47808

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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

Isomeric SMILES

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

InChI

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