[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl] ester Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H22N2O7S/c24-20(14-29-21(25)19-13-28-17-5-1-2-6-18(17)30-19)22-15-7-9-16(10-8-15)31(26,27)23-11-3-4-12-23/h1-2,5-10,19H,3-4,11-14H2,(H,22,24)