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

Systemtic Name: ethanedioic acid; 1-(phenylmethyl)sulfonyl-4-propan-2-yl-piperazine Openeye Name: 1-benzylsulfonyl-4-isopropyl-piperazine; oxalic acid CAS Name: oxalic acid; 1-(phenylmethyl)sulfonyl-4-propan-2-ylpiperazine IUPAC Name: 1-benzylsulfonyl-4-propan-2-ylpiperazine; oxalic acid Traditional Name: 1-benzylsulfonyl-4-isopropyl-piperazine; oxalic acid Formula: C16H24N2O6S MolecularWeight: 372.43656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)N1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H22N2O2S.C2H2O4/c1-13(2)15-8-10-16(11-9-15)19(17,18)12-14-6-4-3-5-7-14;3-1(4)2(5)6/h3-7,13H,8-12H2,1-2H3;(H,3,4)(H,5,6)