[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzoate CAS Name: 4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzoate Traditional Name: 4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1S(=O)(=O)NCC2=CC=C(C=C2)C(=O)OCC(=O)NCC#C

Isomeric SMILES

COC1=CC=CC=C1S(=O)(=O)NCC2=CC=C(C=C2)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C20H20N2O6S/c1-3-12-21-19(23)14-28-20(24)16-10-8-15(9-11-16)13-22-29(25,26)18-7-5-4-6-17(18)27-2/h1,4-11,22H,12-14H2,2H3,(H,21,23)