ethanedioic acid; 2-[4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazin-1-yl]ethanol

Systemtic Name: ethanedioic acid; 2-[4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazin-1-yl]ethanol Openeye Name: oxalic acid; 2-[4-[1-(p-tolylsulfonyl)-4-piperidyl]piperazin-1-yl]ethanol CAS Name: 2-[4-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-1-piperazinyl]ethanol; oxalic acid IUPAC Name: 2-[4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazin-1-yl]ethanol; oxalic acid Traditional Name: oxalic acid; 2-[4-(1-tosyl-4-piperidyl)piperazino]ethanol Formula: C20H31N3O7S MolecularWeight: 457.54104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3CCN(CC3)CCO.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3CCN(CC3)CCO.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H29N3O3S.C2H2O4/c1-16-2-4-18(5-3-16)25(23,24)21-8-6-17(7-9-21)20-12-10-19(11-13-20)14-15-22;3-1(4)2(5)6/h2-5,17,22H,6-15H2,1H3;(H,3,4)(H,5,6)