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

Systemtic Name: 1-(3-ethoxypropyl)-2-[(4-fluoranyl-2-methyl-phenyl)methylsulfanyl]-5-(3-methylpiperidin-1-yl)sulfonyl-benzimidazole Openeye Name: 1-(3-ethoxypropyl)-2-[(4-fluoro-2-methyl-phenyl)methylsulfanyl]-5-[(3-methyl-1-piperidyl)sulfonyl]benzimidazole CAS Name: 1-(3-ethoxypropyl)-2-[(4-fluoro-2-methylphenyl)methylthio]-5-[(3-methyl-1-piperidinyl)sulfonyl]benzimidazole IUPAC Name: 1-(3-ethoxypropyl)-2-[(4-fluoro-2-methylphenyl)methylsulfanyl]-5-(3-methylpiperidin-1-yl)sulfonylbenzimidazole Traditional Name: 1-(3-ethoxypropyl)-2-[(4-fluoro-2-methyl-benzyl)thio]-5-(3-methylpiperidino)sulfonyl-benzimidazole Formula: C26H34FN3O3S2 MolecularWeight: 519.694863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C)N=C1SCC4=C(C=C(C=C4)F)C

Isomeric SMILES

CCOCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C)N=C1SCC4=C(C=C(C=C4)F)C

InChI

InChI=1S/C26H34FN3O3S2/c1-4-33-14-6-13-30-25-11-10-23(35(31,32)29-12-5-7-19(2)17-29)16-24(25)28-26(30)34-18-21-8-9-22(27)15-20(21)3/h8-11,15-16,19H,4-7,12-14,17-18H2,1-3H3