[1-oxidanylidene-1-(phenethylamino)propan-2-yl] 3-(prop-2-ynylsulfamoyl)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC#C

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC#C

InChI

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