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

Systemtic Name: 2-[(2,3-dimethoxyphenyl)methylsulfanyl]-5-(3-methylpiperidin-1-yl)sulfonyl-1-(oxolan-2-ylmethyl)benzimidazole Openeye Name: 2-[(2,3-dimethoxyphenyl)methylsulfanyl]-5-[(3-methyl-1-piperidyl)sulfonyl]-1-(tetrahydrofuran-2-ylmethyl)benzimidazole CAS Name: 2-[(2,3-dimethoxyphenyl)methylthio]-5-[(3-methyl-1-piperidinyl)sulfonyl]-1-(2-oxolanylmethyl)benzimidazole IUPAC Name: 2-[(2,3-dimethoxyphenyl)methylsulfanyl]-5-(3-methylpiperidin-1-yl)sulfonyl-1-(oxolan-2-ylmethyl)benzimidazole Traditional Name: 5-(3-methylpiperidino)sulfonyl-2-(o-veratrylthio)-1-(tetrahydrofurfuryl)benzimidazole Formula: C27H35N3O5S2 MolecularWeight: 545.7139

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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)CC5CCCO5

Isomeric SMILES

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

InChI

InChI=1S/C27H35N3O5S2/c1-19-7-5-13-29(16-19)37(31,32)22-11-12-24-23(15-22)28-27(30(24)17-21-9-6-14-35-21)36-18-20-8-4-10-25(33-2)26(20)34-3/h4,8,10-12,15,19,21H,5-7,9,13-14,16-18H2,1-3H3