[2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(1-butyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propanoate

Systemtic Name: [2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(1-butyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propanoate Openeye Name: [2-(3,5-dimethoxyanilino)-2-oxo-ethyl] 3-(1-butyl-5-morpholinosulfonyl-benzimidazol-2-yl)propanoate CAS Name: 3-[1-butyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]propanoic acid [2-(3,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethoxyanilino)-2-oxoethyl] 3-(1-butyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoate Traditional Name: 3-(1-butyl-5-morpholinosulfonyl-benzimidazol-2-yl)propionic acid [2-(3,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C28H36N4O8S MolecularWeight: 588.67244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)OCC(=O)NC4=CC(=CC(=C4)OC)OC

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)OCC(=O)NC4=CC(=CC(=C4)OC)OC

InChI

InChI=1S/C28H36N4O8S/c1-4-5-10-32-25-7-6-23(41(35,36)31-11-13-39-14-12-31)18-24(25)30-26(32)8-9-28(34)40-19-27(33)29-20-15-21(37-2)17-22(16-20)38-3/h6-7,15-18H,4-5,8-14,19H2,1-3H3,(H,29,33)