ethanedioic acid; 1-(phenylsulfonyl)-4-propan-2-yl-piperazine

Systemtic Name: ethanedioic acid; 1-(phenylsulfonyl)-4-propan-2-yl-piperazine Openeye Name: 1-(benzenesulfonyl)-4-isopropyl-piperazine; oxalic acid CAS Name: 1-(benzenesulfonyl)-4-propan-2-ylpiperazine; oxalic acid IUPAC Name: 1-(benzenesulfonyl)-4-propan-2-ylpiperazine; oxalic acid Traditional Name: 1-besyl-4-isopropyl-piperazine; oxalic acid Formula: C15H22N2O6S MolecularWeight: 358.40998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H20N2O2S.C2H2O4/c1-12(2)14-8-10-15(11-9-14)18(16,17)13-6-4-3-5-7-13;3-1(4)2(5)6/h3-7,12H,8-11H2,1-2H3;(H,3,4)(H,5,6)