[(2R)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-butanoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoic acid [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-butyric acid [(1R)-2-keto-1-methyl-2-(4-sulfamoylanilino)ethyl] ester Formula: C21H22N2O8S MolecularWeight: 462.47298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)CCC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)CCC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H22N2O8S/c1-13(21(26)23-15-3-5-16(6-4-15)32(22,27)28)31-20(25)9-7-17(24)14-2-8-18-19(12-14)30-11-10-29-18/h2-6,8,12-13H,7,9-11H2,1H3,(H,23,26)(H2,22,27,28)/t13-/m1/s1