methyl 3-methoxy-4-[[5-(3-methylpiperidin-1-yl)sulfonyl-1-(oxolan-2-ylmethyl)benzimidazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-methoxy-4-[[5-(3-methylpiperidin-1-yl)sulfonyl-1-(oxolan-2-ylmethyl)benzimidazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-methoxy-4-[[5-[(3-methyl-1-piperidyl)sulfonyl]-1-(tetrahydrofuran-2-ylmethyl)benzimidazol-2-yl]sulfanylmethyl]benzoate CAS Name: 3-methoxy-4-[[[5-[(3-methyl-1-piperidinyl)sulfonyl]-1-(2-oxolanylmethyl)-2-benzimidazolyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-methoxy-4-[[5-(3-methylpiperidin-1-yl)sulfonyl-1-(oxolan-2-ylmethyl)benzimidazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-methoxy-4-[[[5-(3-methylpiperidino)sulfonyl-1-(tetrahydrofurfuryl)benzimidazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C28H35N3O6S2 MolecularWeight: 573.724

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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=C(C=C4)C(=O)OC)OC)CC5CCCO5

Isomeric SMILES

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

InChI

InChI=1S/C28H35N3O6S2/c1-19-6-4-12-30(16-19)39(33,34)23-10-11-25-24(15-23)29-28(31(25)17-22-7-5-13-37-22)38-18-21-9-8-20(27(32)36-3)14-26(21)35-2/h8-11,14-15,19,22H,4-7,12-13,16-18H2,1-3H3