[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanoate

Systemtic Name: [2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanoate Openeye Name: [2-(4-methylsulfonylanilino)-2-oxo-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid [2-(4-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylanilino)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid [2-keto-2-(4-mesylanilino)ethyl] ester Formula: C19H19NO7S MolecularWeight: 405.42166

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C19H19NO7S/c1-28(23,24)15-5-3-14(4-6-15)20-18(21)12-27-19(22)11-13-2-7-16-17(10-13)26-9-8-25-16/h2-7,10H,8-9,11-12H2,1H3,(H,20,21)