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

Systemtic Name: [2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1-butyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propanoate Openeye Name: [2-(4-acetylanilino)-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-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-acetylanilino)-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-acetylanilino)-2-keto-ethyl] ester Formula: C28H34N4O7S MolecularWeight: 570.65716

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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)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C28H34N4O7S/c1-3-4-13-32-25-10-9-23(40(36,37)31-14-16-38-17-15-31)18-24(25)30-26(32)11-12-28(35)39-19-27(34)29-22-7-5-21(6-8-22)20(2)33/h5-10,18H,3-4,11-17,19H2,1-2H3,(H,29,34)