1-cyclopentyl-2-[(2,3-dimethoxyphenyl)methylsulfanyl]-5-(3-methylpiperidin-1-yl)sulfonyl-benzimidazole

Systemtic Name: 1-cyclopentyl-2-[(2,3-dimethoxyphenyl)methylsulfanyl]-5-(3-methylpiperidin-1-yl)sulfonyl-benzimidazole Openeye Name: 1-cyclopentyl-2-[(2,3-dimethoxyphenyl)methylsulfanyl]-5-[(3-methyl-1-piperidyl)sulfonyl]benzimidazole CAS Name: 1-cyclopentyl-2-[(2,3-dimethoxyphenyl)methylthio]-5-[(3-methyl-1-piperidinyl)sulfonyl]benzimidazole IUPAC Name: 1-cyclopentyl-2-[(2,3-dimethoxyphenyl)methylsulfanyl]-5-(3-methylpiperidin-1-yl)sulfonylbenzimidazole Traditional Name: 1-cyclopentyl-5-(3-methylpiperidino)sulfonyl-2-(o-veratrylthio)benzimidazole Formula: C27H35N3O4S2 MolecularWeight: 529.7145

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=N3)SCC4=C(C(=CC=C4)OC)OC)C5CCCC5

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=N3)SCC4=C(C(=CC=C4)OC)OC)C5CCCC5

InChI

InChI=1S/C27H35N3O4S2/c1-19-8-7-15-29(17-19)36(31,32)22-13-14-24-23(16-22)28-27(30(24)21-10-4-5-11-21)35-18-20-9-6-12-25(33-2)26(20)34-3/h6,9,12-14,16,19,21H,4-5,7-8,10-11,15,17-18H2,1-3H3