[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate CAS Name: 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate Traditional Name: 2-(mesitylsulfonylamino)benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)NCC#C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)NCC#C)C

InChI

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