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

Systemtic Name: methyl 4-[[1-(3-ethoxypropyl)-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl]sulfanylmethyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[1-(3-ethoxypropyl)-5-morpholinosulfonyl-benzimidazol-2-yl]sulfanylmethyl]-3-methoxy-benzoate CAS Name: 4-[[[1-(3-ethoxypropyl)-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]thio]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[1-(3-ethoxypropyl)-5-morpholin-4-ylsulfonylbenzimidazol-2-yl]sulfanylmethyl]-3-methoxybenzoate Traditional Name: 4-[[[1-(3-ethoxypropyl)-5-morpholinosulfonyl-benzimidazol-2-yl]thio]methyl]-3-methoxy-benzoic acid methyl ester Formula: C26H33N3O7S2 MolecularWeight: 563.68612

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC4=C(C=C(C=C4)C(=O)OC)OC

Isomeric SMILES

CCOCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC4=C(C=C(C=C4)C(=O)OC)OC

InChI

InChI=1S/C26H33N3O7S2/c1-4-35-13-5-10-29-23-9-8-21(38(31,32)28-11-14-36-15-12-28)17-22(23)27-26(29)37-18-20-7-6-19(25(30)34-3)16-24(20)33-2/h6-9,16-17H,4-5,10-15,18H2,1-3H3