[2-[[2-chloranyl-5-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] (1S)-cyclohex-3-ene-1-carboxylate

Systemtic Name: [2-[[2-chloranyl-5-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] (1S)-cyclohex-3-ene-1-carboxylate Openeye Name: [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxo-ethyl] (1S)-cyclohex-3-ene-1-carboxylate CAS Name: (1S)-1-cyclohex-3-enecarboxylic acid [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] (1S)-cyclohex-3-ene-1-carboxylate Traditional Name: (1S)-cyclohex-3-ene-1-carboxylic acid [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-keto-ethyl] ester Formula: C17H21ClN2O5S MolecularWeight: 400.87704

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)C2CCC=CC2

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)[C@H]2CCC=CC2

InChI

InChI=1S/C17H21ClN2O5S/c1-20(2)26(23,24)13-8-9-14(18)15(10-13)19-16(21)11-25-17(22)12-6-4-3-5-7-12/h3-4,8-10,12H,5-7,11H2,1-2H3,(H,19,21)/t12-/m1/s1