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

Systemtic Name: [2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl] 3-(1-butyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propanoate Openeye Name: [2-(4-acetamidoanilino)-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-(4-acetamidoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidoanilino)-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-(4-acetamidoanilino)-2-keto-ethyl] ester Formula: C28H35N5O7S MolecularWeight: 585.6718

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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=C(C=C4)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C28H35N5O7S/c1-3-4-13-33-25-10-9-23(41(37,38)32-14-16-39-17-15-32)18-24(25)31-26(33)11-12-28(36)40-19-27(35)30-22-7-5-21(6-8-22)29-20(2)34/h5-10,18H,3-4,11-17,19H2,1-2H3,(H,29,34)(H,30,35)