ethanedioic acid; 1-(3-methylcyclohexyl)-4-(4-methylphenyl)sulfonyl-piperazine

Systemtic Name: ethanedioic acid; 1-(3-methylcyclohexyl)-4-(4-methylphenyl)sulfonyl-piperazine Openeye Name: 1-(3-methylcyclohexyl)-4-(p-tolylsulfonyl)piperazine; oxalic acid CAS Name: 1-(3-methylcyclohexyl)-4-(4-methylphenyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-(3-methylcyclohexyl)-4-(4-methylphenyl)sulfonylpiperazine; oxalic acid Traditional Name: 1-(3-methylcyclohexyl)-4-tosyl-piperazine; oxalic acid Formula: C20H30N2O6S MolecularWeight: 426.527

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCC(C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H28N2O2S.C2H2O4/c1-15-6-8-18(9-7-15)23(21,22)20-12-10-19(11-13-20)17-5-3-4-16(2)14-17;3-1(4)2(5)6/h6-9,16-17H,3-5,10-14H2,1-2H3;(H,3,4)(H,5,6)