ethanedioic acid; 1-(phenylsulfonyl)-4-(pyridin-4-ylmethyl)piperazine

Systemtic Name: ethanedioic acid; 1-(phenylsulfonyl)-4-(pyridin-4-ylmethyl)piperazine Openeye Name: 1-(benzenesulfonyl)-4-(4-pyridylmethyl)piperazine; oxalic acid CAS Name: 1-(benzenesulfonyl)-4-(pyridin-4-ylmethyl)piperazine; oxalic acid IUPAC Name: 1-(benzenesulfonyl)-4-(pyridin-4-ylmethyl)piperazine; oxalic acid Traditional Name: 1-besyl-4-(4-pyridylmethyl)piperazine; oxalic acid Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC=C2)S(=O)(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=C2)S(=O)(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H19N3O2S.C2H2O4/c20-22(21,16-4-2-1-3-5-16)19-12-10-18(11-13-19)14-15-6-8-17-9-7-15;3-1(4)2(5)6/h1-9H,10-14H2;(H,3,4)(H,5,6)