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

Systemtic Name: ethanedioic acid; 1-(4-phenylbutan-2-yl)-4-(phenylsulfonyl)piperazine Openeye Name: 1-(benzenesulfonyl)-4-(1-methyl-3-phenyl-propyl)piperazine; oxalic acid CAS Name: 1-(benzenesulfonyl)-4-(4-phenylbutan-2-yl)piperazine; oxalic acid IUPAC Name: 1-(benzenesulfonyl)-4-(4-phenylbutan-2-yl)piperazine; oxalic acid Traditional Name: 1-besyl-4-(1-methyl-3-phenyl-propyl)piperazine; oxalic acid Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC(CCC1=CC=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H26N2O2S.C2H2O4/c1-18(12-13-19-8-4-2-5-9-19)21-14-16-22(17-15-21)25(23,24)20-10-6-3-7-11-20;3-1(4)2(5)6/h2-11,18H,12-17H2,1H3;(H,3,4)(H,5,6)