ethanedioic acid; 1-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-4-phenyl-piperazine

Systemtic Name: ethanedioic acid; 1-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-4-phenyl-piperazine Openeye Name: 1-[1-(2-naphthylsulfonyl)-4-piperidyl]-4-phenyl-piperazine; oxalic acid CAS Name: 1-[1-(2-naphthalenylsulfonyl)-4-piperidinyl]-4-phenylpiperazine; oxalic acid IUPAC Name: 1-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-4-phenylpiperazine; oxalic acid Traditional Name: 1-[1-(2-naphthylsulfonyl)-4-piperidyl]-4-phenyl-piperazine; oxalic acid Formula: C27H31N3O6S MolecularWeight: 525.61654

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H29N3O2S.C2H2O4/c29-31(30,25-11-10-21-6-4-5-7-22(21)20-25)28-14-12-24(13-15-28)27-18-16-26(17-19-27)23-8-2-1-3-9-23;3-1(4)2(5)6/h1-11,20,24H,12-19H2;(H,3,4)(H,5,6)