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

Systemtic Name: ethanedioic acid; 1-phenyl-4-[1-(phenylsulfonyl)piperidin-4-yl]piperazine Openeye Name: 1-[1-(benzenesulfonyl)-4-piperidyl]-4-phenyl-piperazine; oxalic acid CAS Name: 1-[1-(benzenesulfonyl)-4-piperidinyl]-4-phenylpiperazine; oxalic acid IUPAC Name: 1-[1-(benzenesulfonyl)piperidin-4-yl]-4-phenylpiperazine; oxalic acid Traditional Name: 1-(1-besyl-4-piperidyl)-4-phenyl-piperazine; oxalic acid Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H27N3O2S.C2H2O4/c25-27(26,21-9-5-2-6-10-21)24-13-11-20(12-14-24)23-17-15-22(16-18-23)19-7-3-1-4-8-19;3-1(4)2(5)6/h1-10,20H,11-18H2;(H,3,4)(H,5,6)