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

Systemtic Name: [(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(prop-2-enylsulfamoyl)benzoate Openeye Name: [(1S)-2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] 3-(allylsulfamoyl)benzoate CAS Name: 3-(prop-2-enylsulfamoyl)benzoic acid [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3-(prop-2-enylsulfamoyl)benzoate Traditional Name: 3-(allylsulfamoyl)benzoic acid [(1S)-2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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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@H](C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC=C

InChI

InChI=1S/C21H24N2O5S/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/h4,6-12,14-15,22H,1,5,13H2,2-3H3,(H,23,24)/t15-/m0/s1