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

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1-butyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propanoate Openeye Name: [2-(2,5-dimethylanilino)-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-(2,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-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-(2,5-dimethylanilino)-2-keto-ethyl] ester Formula: C28H36N4O6S MolecularWeight: 556.67364

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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=C(C=CC(=C4)C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H36N4O6S/c1-4-5-12-32-25-9-8-22(39(35,36)31-13-15-37-16-14-31)18-24(25)29-26(32)10-11-28(34)38-19-27(33)30-23-17-20(2)6-7-21(23)3/h6-9,17-18H,4-5,10-16,19H2,1-3H3,(H,30,33)