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

Systemtic Name: methyl 4-[[1-cyclopentyl-5-(3-methylpiperidin-1-yl)sulfonyl-benzimidazol-2-yl]sulfanylmethyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[1-cyclopentyl-5-[(3-methyl-1-piperidyl)sulfonyl]benzimidazol-2-yl]sulfanylmethyl]-3-methoxy-benzoate CAS Name: 4-[[[1-cyclopentyl-5-[(3-methyl-1-piperidinyl)sulfonyl]-2-benzimidazolyl]thio]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[1-cyclopentyl-5-(3-methylpiperidin-1-yl)sulfonylbenzimidazol-2-yl]sulfanylmethyl]-3-methoxybenzoate Traditional Name: 4-[[[1-cyclopentyl-5-(3-methylpiperidino)sulfonyl-benzimidazol-2-yl]thio]methyl]-3-methoxy-benzoic acid methyl ester Formula: C28H35N3O5S2 MolecularWeight: 557.7246

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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)C5CCCC5

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)C5CCCC5

InChI

InChI=1S/C28H35N3O5S2/c1-19-7-6-14-30(17-19)38(33,34)23-12-13-25-24(16-23)29-28(31(25)22-8-4-5-9-22)37-18-21-11-10-20(27(32)36-3)15-26(21)35-2/h10-13,15-16,19,22H,4-9,14,17-18H2,1-3H3