1-cyclopentyl-2-[(3-fluoranyl-4-methyl-phenyl)methylsulfanyl]-5-(3-methylpiperidin-1-yl)sulfonyl-benzimidazole

Systemtic Name: 1-cyclopentyl-2-[(3-fluoranyl-4-methyl-phenyl)methylsulfanyl]-5-(3-methylpiperidin-1-yl)sulfonyl-benzimidazole Openeye Name: 1-cyclopentyl-2-[(3-fluoro-4-methyl-phenyl)methylsulfanyl]-5-[(3-methyl-1-piperidyl)sulfonyl]benzimidazole CAS Name: 1-cyclopentyl-2-[(3-fluoro-4-methylphenyl)methylthio]-5-[(3-methyl-1-piperidinyl)sulfonyl]benzimidazole IUPAC Name: 1-cyclopentyl-2-[(3-fluoro-4-methylphenyl)methylsulfanyl]-5-(3-methylpiperidin-1-yl)sulfonylbenzimidazole Traditional Name: 1-cyclopentyl-2-[(3-fluoro-4-methyl-benzyl)thio]-5-(3-methylpiperidino)sulfonyl-benzimidazole Formula: C26H32FN3O2S2 MolecularWeight: 501.679583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32FN3O2S2/c1-18-6-5-13-29(16-18)34(31,32)22-11-12-25-24(15-22)28-26(30(25)21-7-3-4-8-21)33-17-20-10-9-19(2)23(27)14-20/h9-12,14-15,18,21H,3-8,13,16-17H2,1-2H3