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

Systemtic Name: methyl 4-[[1-(3-ethoxypropyl)-5-(3-methylpiperidin-1-yl)sulfonyl-benzimidazol-2-yl]sulfanylmethyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[1-(3-ethoxypropyl)-5-[(3-methyl-1-piperidyl)sulfonyl]benzimidazol-2-yl]sulfanylmethyl]-3-methoxy-benzoate CAS Name: 4-[[[1-(3-ethoxypropyl)-5-[(3-methyl-1-piperidinyl)sulfonyl]-2-benzimidazolyl]thio]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[1-(3-ethoxypropyl)-5-(3-methylpiperidin-1-yl)sulfonylbenzimidazol-2-yl]sulfanylmethyl]-3-methoxybenzoate Traditional Name: 4-[[[1-(3-ethoxypropyl)-5-(3-methylpiperidino)sulfonyl-benzimidazol-2-yl]thio]methyl]-3-methoxy-benzoic acid methyl ester Formula: C28H37N3O6S2 MolecularWeight: 575.73988

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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)C(=O)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H37N3O6S2/c1-5-37-15-7-14-31-25-12-11-23(39(33,34)30-13-6-8-20(2)18-30)17-24(25)29-28(31)38-19-22-10-9-21(27(32)36-4)16-26(22)35-3/h9-12,16-17,20H,5-8,13-15,18-19H2,1-4H3