[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] 3-(4-morpholinosulfonylphenyl)propanoate CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]propanoic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-morpholinosulfonylphenyl)propionic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C23H28N2O8S MolecularWeight: 492.54202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)OC

InChI

InChI=1S/C23H28N2O8S/c1-30-20-9-6-18(15-21(20)31-2)24-22(26)16-33-23(27)10-5-17-3-7-19(8-4-17)34(28,29)25-11-13-32-14-12-25/h3-4,6-9,15H,5,10-14,16H2,1-2H3,(H,24,26)