[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 3-(prop-2-ynylsulfamoyl)benzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 3-(prop-2-ynylsulfamoyl)benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 3-(prop-2-ynylsulfamoyl)benzoate CAS Name: 3-(prop-2-ynylsulfamoyl)benzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 3-(propargylsulfamoyl)benzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C19H16N2O7S MolecularWeight: 416.40454

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C#CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H16N2O7S/c1-2-8-20-29(24,25)15-5-3-4-13(9-15)19(23)26-11-18(22)21-14-6-7-16-17(10-14)28-12-27-16/h1,3-7,9-10,20H,8,11-12H2,(H,21,22)