[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-[(2-methoxyphenyl)-prop-2-enyl-sulfamoyl]benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-[(2-methoxyphenyl)-prop-2-enyl-sulfamoyl]benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-[allyl-(2-methoxyphenyl)sulfamoyl]benzoate CAS Name: 3-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzoate Traditional Name: 3-[allyl-(2-methoxyphenyl)sulfamoyl]benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CC=C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCC#C

Isomeric SMILES

COC1=CC=CC=C1N(CC=C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C22H22N2O6S/c1-4-13-23-21(25)16-30-22(26)17-9-8-10-18(15-17)31(27,28)24(14-5-2)19-11-6-7-12-20(19)29-3/h1,5-12,15H,2,13-14,16H2,3H3,(H,23,25)