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

Systemtic Name: ethanedioic acid; 1-methylsulfonyl-4-(4-phenylbutan-2-yl)piperazine Openeye Name: 1-(1-methyl-3-phenyl-propyl)-4-methylsulfonyl-piperazine; oxalic acid CAS Name: 1-methylsulfonyl-4-(4-phenylbutan-2-yl)piperazine; oxalic acid IUPAC Name: 1-methylsulfonyl-4-(4-phenylbutan-2-yl)piperazine; oxalic acid Traditional Name: 1-mesyl-4-(1-methyl-3-phenyl-propyl)piperazine; oxalic acid Formula: C17H26N2O6S MolecularWeight: 386.46314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N2O2S.C2H2O4/c1-14(8-9-15-6-4-3-5-7-15)16-10-12-17(13-11-16)20(2,18)19;3-1(4)2(5)6/h3-7,14H,8-13H2,1-2H3;(H,3,4)(H,5,6)