ethanedioic acid; 1-(2-methoxyphenyl)-4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazine

Systemtic Name: ethanedioic acid; 1-(2-methoxyphenyl)-4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazine Openeye Name: 1-(2-methoxyphenyl)-4-[1-(p-tolylsulfonyl)-4-piperidyl]piperazine; oxalic acid CAS Name: 1-(2-methoxyphenyl)-4-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]piperazine; oxalic acid IUPAC Name: 1-(2-methoxyphenyl)-4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazine; oxalic acid Traditional Name: 1-(2-methoxyphenyl)-4-(1-tosyl-4-piperidyl)piperazine; oxalic acid Formula: C25H33N3O7S MolecularWeight: 519.61042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3CCN(CC3)C4=CC=CC=C4OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3CCN(CC3)C4=CC=CC=C4OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H31N3O3S.C2H2O4/c1-19-7-9-21(10-8-19)30(27,28)26-13-11-20(12-14-26)24-15-17-25(18-16-24)22-5-3-4-6-23(22)29-2;3-1(4)2(5)6/h3-10,20H,11-18H2,1-2H3;(H,3,4)(H,5,6)