(1S,6R)-6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbonylcyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6R)-6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbonylcyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-6-[[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-6-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid Formula: C18H21FN2O5S MolecularWeight: 396.433143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2CC=CCC2C(=O)O)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H21FN2O5S/c19-13-5-7-14(8-6-13)27(25,26)21-11-9-20(10-12-21)17(22)15-3-1-2-4-16(15)18(23)24/h1-2,5-8,15-16H,3-4,9-12H2,(H,23,24)/t15-,16+/m1/s1