4-[4-chloranyl-3-(cyclohexylmethylsulfamoyl)phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-chloranyl-3-(cyclohexylmethylsulfamoyl)phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-chloro-3-(cyclohexylmethylsulfamoyl)phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-chloro-3-(cyclohexylmethylsulfamoyl)phenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-chloro-3-(cyclohexylmethylsulfamoyl)phenyl]-4-oxobutanoic acid Traditional Name: 4-[4-chloro-3-(cyclohexylmethylsulfamoyl)phenyl]-4-keto-butyric acid Formula: C17H22ClNO5S MolecularWeight: 387.87828

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNS(=O)(=O)C2=C(C=CC(=C2)C(=O)CCC(=O)O)Cl

Isomeric SMILES

C1CCC(CC1)CNS(=O)(=O)C2=C(C=CC(=C2)C(=O)CCC(=O)O)Cl

InChI

InChI=1S/C17H22ClNO5S/c18-14-7-6-13(15(20)8-9-17(21)22)10-16(14)25(23,24)19-11-12-4-2-1-3-5-12/h6-7,10,12,19H,1-5,8-9,11H2,(H,21,22)