[(2R)-1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 4-(prop-2-enylsulfamoyl)benzoate

Systemtic Name: [(2R)-1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 4-(prop-2-enylsulfamoyl)benzoate Openeye Name: [(1R)-2-(2,5-dimethylphenyl)-1-methyl-2-oxo-ethyl] 4-(allylsulfamoyl)benzoate CAS Name: 4-(prop-2-enylsulfamoyl)benzoic acid [(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] 4-(prop-2-enylsulfamoyl)benzoate Traditional Name: 4-(allylsulfamoyl)benzoic acid [(1R)-2-(2,5-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5S/c1-5-12-22-28(25,26)18-10-8-17(9-11-18)21(24)27-16(4)20(23)19-13-14(2)6-7-15(19)3/h5-11,13,16,22H,1,12H2,2-4H3/t16-/m1/s1