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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC=C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H](C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC=C

InChI

InChI=1S/C21H24N2O5S/c1-4-12-23-29(26,27)19-7-5-6-18(13-19)21(25)28-16(3)20(24)22-14-17-10-8-15(2)9-11-17/h4-11,13,16,23H,1,12,14H2,2-3H3,(H,22,24)/t16-/m0/s1