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

Systemtic Name: 1-(cyclohex-3-en-1-ylmethyl)-4-(4-methylphenyl)sulfonyl-piperazine; ethanedioic acid Openeye Name: 1-(cyclohex-3-en-1-ylmethyl)-4-(p-tolylsulfonyl)piperazine; oxalic acid CAS Name: 1-(1-cyclohex-3-enylmethyl)-4-(4-methylphenyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-(cyclohex-3-en-1-ylmethyl)-4-(4-methylphenyl)sulfonylpiperazine; oxalic acid Traditional Name: 1-(cyclohex-3-en-1-ylmethyl)-4-tosyl-piperazine; oxalic acid Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3CCC=CC3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3CCC=CC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H26N2O2S.C2H2O4/c1-16-7-9-18(10-8-16)23(21,22)20-13-11-19(12-14-20)15-17-5-3-2-4-6-17;3-1(4)2(5)6/h2-3,7-10,17H,4-6,11-15H2,1H3;(H,3,4)(H,5,6)