ethanedioic acid; 1-[4-(phenylsulfonyl)piperazin-1-yl]-2-(pyridin-2-ylmethylamino)ethanone

Systemtic Name: ethanedioic acid; 1-[4-(phenylsulfonyl)piperazin-1-yl]-2-(pyridin-2-ylmethylamino)ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-pyridylmethylamino)ethanone; oxalic acid CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(2-pyridinylmethylamino)ethanone; oxalic acid IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(pyridin-2-ylmethylamino)ethanone; oxalic acid Traditional Name: 1-(4-besylpiperazino)-2-(2-pyridylmethylamino)ethanone; oxalic acid Formula: C20H24N4O7S MolecularWeight: 464.49216

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CNCC2=CC=CC=N2)S(=O)(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1C(=O)CNCC2=CC=CC=N2)S(=O)(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H22N4O3S.C2H2O4/c23-18(15-19-14-16-6-4-5-9-20-16)21-10-12-22(13-11-21)26(24,25)17-7-2-1-3-8-17;3-1(4)2(5)6/h1-9,19H,10-15H2;(H,3,4)(H,5,6)