ethanedioic acid; 1-naphthalen-2-ylsulfonyl-4-(pyridin-2-ylmethyl)piperazine

Systemtic Name: ethanedioic acid; 1-naphthalen-2-ylsulfonyl-4-(pyridin-2-ylmethyl)piperazine Openeye Name: 1-(2-naphthylsulfonyl)-4-(2-pyridylmethyl)piperazine; oxalic acid CAS Name: 1-(2-naphthalenylsulfonyl)-4-(2-pyridinylmethyl)piperazine; oxalic acid IUPAC Name: 1-naphthalen-2-ylsulfonyl-4-(pyridin-2-ylmethyl)piperazine; oxalic acid Traditional Name: 1-(2-naphthylsulfonyl)-4-(2-pyridylmethyl)piperazine; oxalic acid Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=N2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=N2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H21N3O2S.C2H2O4/c24-26(25,20-9-8-17-5-1-2-6-18(17)15-20)23-13-11-22(12-14-23)16-19-7-3-4-10-21-19;3-1(4)2(5)6/h1-10,15H,11-14,16H2;(H,3,4)(H,5,6)