1-cyclopentyl-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-cyclopentyl-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzimidazole-5-carboxylic acid Openeye Name: 1-cyclopentyl-2-[1-(p-tolylsulfonyl)-4-piperidyl]benzimidazole-5-carboxylic acid CAS Name: 1-cyclopentyl-2-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-cyclopentyl-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzimidazole-5-carboxylic acid Traditional Name: 1-cyclopentyl-2-(1-tosyl-4-piperidyl)benzimidazole-5-carboxylic acid Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=NC4=C(N3C5CCCC5)C=CC(=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=NC4=C(N3C5CCCC5)C=CC(=C4)C(=O)O

InChI

InChI=1S/C25H29N3O4S/c1-17-6-9-21(10-7-17)33(31,32)27-14-12-18(13-15-27)24-26-22-16-19(25(29)30)8-11-23(22)28(24)20-4-2-3-5-20/h6-11,16,18,20H,2-5,12-15H2,1H3,(H,29,30)