[2-[(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: [2-[(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [2-(2-methoxy-5-morpholinosulfonyl-anilino)-2-oxo-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic acid [2-[2-methoxy-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic acid [2-keto-2-(2-methoxy-5-morpholinosulfonyl-anilino)ethyl] ester Formula: C22H25ClN2O7S2 MolecularWeight: 529.0261

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)CCSC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)CCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H25ClN2O7S2/c1-30-20-7-6-18(34(28,29)25-9-11-31-12-10-25)14-19(20)24-21(26)15-32-22(27)8-13-33-17-4-2-16(23)3-5-17/h2-7,14H,8-13,15H2,1H3,(H,24,26)