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

Systemtic Name: [2-[[3,5-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-(1-butyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propanoate Openeye Name: [2-(3,5-dichloroanilino)-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-dichloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dichloroanilino)-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-dichloroanilino)-2-keto-ethyl] ester Formula: C26H30Cl2N4O6S MolecularWeight: 597.5106

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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)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H30Cl2N4O6S/c1-2-3-8-32-23-5-4-21(39(35,36)31-9-11-37-12-10-31)16-22(23)30-24(32)6-7-26(34)38-17-25(33)29-20-14-18(27)13-19(28)15-20/h4-5,13-16H,2-3,6-12,17H2,1H3,(H,29,33)