ethanedioic acid; 1-methyl-4-[1-(phenylsulfonyl)piperidin-4-yl]piperazine

Systemtic Name: ethanedioic acid; 1-methyl-4-[1-(phenylsulfonyl)piperidin-4-yl]piperazine Openeye Name: 1-[1-(benzenesulfonyl)-4-piperidyl]-4-methyl-piperazine; oxalic acid CAS Name: 1-[1-(benzenesulfonyl)-4-piperidinyl]-4-methylpiperazine; oxalic acid IUPAC Name: 1-[1-(benzenesulfonyl)piperidin-4-yl]-4-methylpiperazine; oxalic acid Traditional Name: 1-(1-besyl-4-piperidyl)-4-methyl-piperazine; oxalic acid Formula: C18H27N3O6S MolecularWeight: 413.48848

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H25N3O2S.C2H2O4/c1-17-11-13-18(14-12-17)15-7-9-19(10-8-15)22(20,21)16-5-3-2-4-6-16;3-1(4)2(5)6/h2-6,15H,7-14H2,1H3;(H,3,4)(H,5,6)