6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbonyl-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbonyl-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Formula: C20H25FN2O5S MolecularWeight: 424.486303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)O)C

Isomeric SMILES

CC1=C(CC(C(C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)O)C

InChI

InChI=1S/C20H25FN2O5S/c1-13-11-17(18(20(25)26)12-14(13)2)19(24)22-7-9-23(10-8-22)29(27,28)16-5-3-15(21)4-6-16/h3-6,17-18H,7-12H2,1-2H3,(H,25,26)