[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-[[(3,4-dimethylphenyl)sulfonylamino]methyl]benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-[[(3,4-dimethylphenyl)sulfonylamino]methyl]benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-[[(3,4-dimethylphenyl)sulfonylamino]methyl]benzoate CAS Name: 4-[[(3,4-dimethylphenyl)sulfonylamino]methyl]benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-[[(3,4-dimethylphenyl)sulfonylamino]methyl]benzoate Traditional Name: 4-[[(3,4-dimethylphenyl)sulfonylamino]methyl]benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)OCC(=O)NCC#C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)OCC(=O)NCC#C)C

InChI

InChI=1S/C21H22N2O5S/c1-4-11-22-20(24)14-28-21(25)18-8-6-17(7-9-18)13-23-29(26,27)19-10-5-15(2)16(3)12-19/h1,5-10,12,23H,11,13-14H2,2-3H3,(H,22,24)