ethanedioic acid; 4-methyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine

Systemtic Name: ethanedioic acid; 4-methyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine Openeye Name: 4-methyl-1-[1-(p-tolylsulfonyl)-4-piperidyl]piperidine; oxalic acid CAS Name: 4-methyl-1-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]piperidine; oxalic acid IUPAC Name: 4-methyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine; oxalic acid Traditional Name: 4-methyl-1-(1-tosyl-4-piperidyl)piperidine; oxalic acid Formula: C20H30N2O6S MolecularWeight: 426.527

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCN(CC1)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H28N2O2S.C2H2O4/c1-15-3-5-18(6-4-15)23(21,22)20-13-9-17(10-14-20)19-11-7-16(2)8-12-19;3-1(4)2(5)6/h3-6,16-17H,7-14H2,1-2H3;(H,3,4)(H,5,6)