ethanedioic acid; 1-(4-methoxyphenyl)sulfonyl-4-(4-phenylcyclohexyl)piperazine

Systemtic Name: ethanedioic acid; 1-(4-methoxyphenyl)sulfonyl-4-(4-phenylcyclohexyl)piperazine Openeye Name: 1-(4-methoxyphenyl)sulfonyl-4-(4-phenylcyclohexyl)piperazine; oxalic acid CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-(4-phenylcyclohexyl)piperazine; oxalic acid IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-4-(4-phenylcyclohexyl)piperazine; oxalic acid Traditional Name: 1-(4-methoxyphenyl)sulfonyl-4-(4-phenylcyclohexyl)piperazine; oxalic acid Formula: C25H32N2O7S MolecularWeight: 504.59578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3CCC(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3CCC(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H30N2O3S.C2H2O4/c1-28-22-11-13-23(14-12-22)29(26,27)25-17-15-24(16-18-25)21-9-7-20(8-10-21)19-5-3-2-4-6-19;3-1(4)2(5)6/h2-6,11-14,20-21H,7-10,15-18H2,1H3;(H,3,4)(H,5,6)