[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(naphthalen-2-ylsulfonylamino)ethanoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(naphthalen-2-ylsulfonylamino)ethanoate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] 2-(2-naphthylsulfonylamino)acetate CAS Name: 2-(2-naphthalenylsulfonylamino)acetic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate Traditional Name: 2-(2-naphthylsulfonylamino)acetic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C22H22N2O7S MolecularWeight: 458.48428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)OC

InChI

InChI=1S/C22H22N2O7S/c1-29-19-10-8-17(12-20(19)30-2)24-21(25)14-31-22(26)13-23-32(27,28)18-9-7-15-5-3-4-6-16(15)11-18/h3-12,23H,13-14H2,1-2H3,(H,24,25)