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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-[(4-ethanoylphenyl)sulfonylamino]benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-[(4-acetylphenyl)sulfonylamino]benzoate CAS Name: 4-[(4-acetylphenyl)sulfonylamino]benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-[(4-acetylphenyl)sulfonylamino]benzoate Traditional Name: 4-[(4-acetylphenyl)sulfonylamino]benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C20H18N2O6S MolecularWeight: 414.43172

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)NCC#C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C20H18N2O6S/c1-3-12-21-19(24)13-28-20(25)16-4-8-17(9-5-16)22-29(26,27)18-10-6-15(7-11-18)14(2)23/h1,4-11,22H,12-13H2,2H3,(H,21,24)