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

Systemtic Name: [(2S)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(prop-2-enylsulfamoyl)benzoate Openeye Name: [(1S)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 4-(allylsulfamoyl)benzoate CAS Name: 4-(prop-2-enylsulfamoyl)benzoic acid [(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 4-(prop-2-enylsulfamoyl)benzoate Traditional Name: 4-(allylsulfamoyl)benzoic acid [(1S)-2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C#N)OC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC=C

InChI

InChI=1S/C20H19N3O5S/c1-3-12-22-29(26,27)17-10-8-15(9-11-17)20(25)28-14(2)19(24)23-18-7-5-4-6-16(18)13-21/h3-11,14,22H,1,12H2,2H3,(H,23,24)/t14-/m0/s1