[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 4-(prop-2-ynylsulfamoyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 4-(prop-2-ynylsulfamoyl)benzoate Openeye Name: [2-(N-isopropylanilino)-2-oxo-ethyl] 4-(prop-2-ynylsulfamoyl)benzoate CAS Name: 4-(prop-2-ynylsulfamoyl)benzoic acid [2-oxo-2-(N-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 4-(propargylsulfamoyl)benzoic acid [2-(N-isopropylanilino)-2-keto-ethyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC#C

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC#C

InChI

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