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

Systemtic Name: 2-[(3-fluoranyl-4-methyl-phenyl)methylsulfanyl]-5-(3-methylpiperidin-1-yl)sulfonyl-1-(oxolan-2-ylmethyl)benzimidazole Openeye Name: 2-[(3-fluoro-4-methyl-phenyl)methylsulfanyl]-5-[(3-methyl-1-piperidyl)sulfonyl]-1-(tetrahydrofuran-2-ylmethyl)benzimidazole CAS Name: 2-[(3-fluoro-4-methylphenyl)methylthio]-5-[(3-methyl-1-piperidinyl)sulfonyl]-1-(2-oxolanylmethyl)benzimidazole IUPAC Name: 2-[(3-fluoro-4-methylphenyl)methylsulfanyl]-5-(3-methylpiperidin-1-yl)sulfonyl-1-(oxolan-2-ylmethyl)benzimidazole Traditional Name: 2-[(3-fluoro-4-methyl-benzyl)thio]-5-(3-methylpiperidino)sulfonyl-1-(tetrahydrofurfuryl)benzimidazole Formula: C26H32FN3O3S2 MolecularWeight: 517.678983

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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)CC5CCCO5

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=N3)SCC4=CC(=C(C=C4)C)F)CC5CCCO5

InChI

InChI=1S/C26H32FN3O3S2/c1-18-5-3-11-29(15-18)35(31,32)22-9-10-25-24(14-22)28-26(30(25)16-21-6-4-12-33-21)34-17-20-8-7-19(2)23(27)13-20/h7-10,13-14,18,21H,3-6,11-12,15-17H2,1-2H3