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

Systemtic Name: [2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 3-(1-butyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propanoate Openeye Name: [2-[(2-chloro-3-pyridyl)amino]-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-chloro-3-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chloropyridin-3-yl)amino]-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-chloro-3-pyridyl)amino]-2-keto-ethyl] ester Formula: C25H30ClN5O6S MolecularWeight: 564.0536

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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(N=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H30ClN5O6S/c1-2-3-11-31-21-7-6-18(38(34,35)30-12-14-36-15-13-30)16-20(21)28-22(31)8-9-24(33)37-17-23(32)29-19-5-4-10-27-25(19)26/h4-7,10,16H,2-3,8-9,11-15,17H2,1H3,(H,29,32)