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

Systemtic Name: [1-[(2-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(prop-2-ynylsulfamoyl)benzoate Openeye Name: [2-(2-acetylanilino)-1-methyl-2-oxo-ethyl] 4-(prop-2-ynylsulfamoyl)benzoate CAS Name: 4-(prop-2-ynylsulfamoyl)benzoic acid [1-(2-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-acetylanilino)-1-oxopropan-2-yl] 4-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 4-(propargylsulfamoyl)benzoic acid [2-(2-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H20N2O6S MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC#C

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(=O)C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC#C

InChI

InChI=1S/C21H20N2O6S/c1-4-13-22-30(27,28)17-11-9-16(10-12-17)21(26)29-15(3)20(25)23-19-8-6-5-7-18(19)14(2)24/h1,5-12,15,22H,13H2,2-3H3,(H,23,25)