ethanedioic acid; 1-methylsulfonyl-4-(naphthalen-1-ylmethyl)piperazine

Systemtic Name: ethanedioic acid; 1-methylsulfonyl-4-(naphthalen-1-ylmethyl)piperazine Openeye Name: 1-methylsulfonyl-4-(1-naphthylmethyl)piperazine; oxalic acid CAS Name: 1-methylsulfonyl-4-(1-naphthalenylmethyl)piperazine; oxalic acid IUPAC Name: 1-methylsulfonyl-4-(naphthalen-1-ylmethyl)piperazine; oxalic acid Traditional Name: 1-mesyl-4-(1-naphthylmethyl)piperazine; oxalic acid Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CC2=CC=CC3=CC=CC=C32.C(=O)(C(=O)O)O

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CC2=CC=CC3=CC=CC=C32.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H20N2O2S.C2H2O4/c1-21(19,20)18-11-9-17(10-12-18)13-15-7-4-6-14-5-2-3-8-16(14)15;3-1(4)2(5)6/h2-8H,9-13H2,1H3;(H,3,4)(H,5,6)