1-(cyclohex-3-en-1-ylmethyl)-4-(4-fluorophenyl)sulfonyl-piperazine; ethanedioic acid

Systemtic Name: 1-(cyclohex-3-en-1-ylmethyl)-4-(4-fluorophenyl)sulfonyl-piperazine; ethanedioic acid Openeye Name: 1-(cyclohex-3-en-1-ylmethyl)-4-(4-fluorophenyl)sulfonyl-piperazine; oxalic acid CAS Name: 1-(1-cyclohex-3-enylmethyl)-4-(4-fluorophenyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-(cyclohex-3-en-1-ylmethyl)-4-(4-fluorophenyl)sulfonylpiperazine; oxalic acid Traditional Name: 1-(cyclohex-3-en-1-ylmethyl)-4-(4-fluorophenyl)sulfonyl-piperazine; oxalic acid Formula: C19H25FN2O6S MolecularWeight: 428.475003

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(CC=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H23FN2O2S.C2H2O4/c18-16-6-8-17(9-7-16)23(21,22)20-12-10-19(11-13-20)14-15-4-2-1-3-5-15;3-1(4)2(5)6/h1-2,6-9,15H,3-5,10-14H2;(H,3,4)(H,5,6)