1-[[4-(4-chlorophenyl)piperazin-1-yl]sulfonylmethyl]-4-oxidanylidene-cyclohexane-1-carboxylic acid

Systemtic Name: 1-[[4-(4-chlorophenyl)piperazin-1-yl]sulfonylmethyl]-4-oxidanylidene-cyclohexane-1-carboxylic acid Openeye Name: 1-[[4-(4-chlorophenyl)piperazin-1-yl]sulfonylmethyl]-4-oxo-cyclohexanecarboxylic acid CAS Name: 1-[[4-(4-chlorophenyl)-1-piperazinyl]sulfonylmethyl]-4-oxo-1-cyclohexanecarboxylic acid IUPAC Name: 1-[[4-(4-chlorophenyl)piperazin-1-yl]sulfonylmethyl]-4-oxocyclohexane-1-carboxylic acid Traditional Name: 1-[[4-(4-chlorophenyl)piperazino]sulfonylmethyl]-4-keto-cyclohexanecarboxylic acid Formula: C18H23ClN2O5S MolecularWeight: 414.90362

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1=O)(CS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1CC(CCC1=O)(CS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C18H23ClN2O5S/c19-14-1-3-15(4-2-14)20-9-11-21(12-10-20)27(25,26)13-18(17(23)24)7-5-16(22)6-8-18/h1-4H,5-13H2,(H,23,24)