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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3CCN(CC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3CCN(CC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H31N3O3S.C2H2O4/c1-29-22-7-9-23(10-8-22)30(27,28)26-13-11-21(12-14-26)25-17-15-24(16-18-25)19-20-5-3-2-4-6-20;3-1(4)2(5)6/h2-10,21H,11-19H2,1H3;(H,3,4)(H,5,6)