[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C20H24N2O7S MolecularWeight: 436.47876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H24N2O7S/c1-14-4-7-16(8-5-14)30(25,26)21-11-10-20(24)29-13-19(23)22-15-6-9-17(27-2)18(12-15)28-3/h4-9,12,21H,10-11,13H2,1-3H3,(H,22,23)