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

Systemtic Name: [2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1-butyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propanoate Openeye Name: [2-(4-carbamoylanilino)-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-carbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylanilino)-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-carbamoylanilino)-2-keto-ethyl] ester Formula: C27H33N5O7S MolecularWeight: 571.64522

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C27H33N5O7S/c1-2-3-12-32-23-9-8-21(40(36,37)31-13-15-38-16-14-31)17-22(23)30-24(32)10-11-26(34)39-18-25(33)29-20-6-4-19(5-7-20)27(28)35/h4-9,17H,2-3,10-16,18H2,1H3,(H2,28,35)(H,29,33)