[1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(prop-2-ynylsulfamoyl)benzoate

Systemtic Name: [1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(prop-2-ynylsulfamoyl)benzoate Openeye Name: [2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] 3-(prop-2-ynylsulfamoyl)benzoate CAS Name: 3-(prop-2-ynylsulfamoyl)benzoic acid [1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylanilino)-1-oxopropan-2-yl] 3-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 3-(propargylsulfamoyl)benzoic acid [2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC#C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC#C

InChI

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