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

Systemtic Name: 2-[(2,3-dimethoxyphenyl)methylsulfanyl]-1-(3-ethoxypropyl)-5-(3-methylpiperidin-1-yl)sulfonyl-benzimidazole Openeye Name: 2-[(2,3-dimethoxyphenyl)methylsulfanyl]-1-(3-ethoxypropyl)-5-[(3-methyl-1-piperidyl)sulfonyl]benzimidazole CAS Name: 2-[(2,3-dimethoxyphenyl)methylthio]-1-(3-ethoxypropyl)-5-[(3-methyl-1-piperidinyl)sulfonyl]benzimidazole IUPAC Name: 2-[(2,3-dimethoxyphenyl)methylsulfanyl]-1-(3-ethoxypropyl)-5-(3-methylpiperidin-1-yl)sulfonylbenzimidazole Traditional Name: 1-(3-ethoxypropyl)-5-(3-methylpiperidino)sulfonyl-2-(o-veratrylthio)benzimidazole Formula: C27H37N3O5S2 MolecularWeight: 547.72978

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(=CC=C4)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3O5S2/c1-5-35-16-8-15-30-24-13-12-22(37(31,32)29-14-7-9-20(2)18-29)17-23(24)28-27(30)36-19-21-10-6-11-25(33-3)26(21)34-4/h6,10-13,17,20H,5,7-9,14-16,18-19H2,1-4H3