1-cyclohexyl-4-(phenylmethyl)sulfonyl-piperazine; ethanedioic acid

Systemtic Name: 1-cyclohexyl-4-(phenylmethyl)sulfonyl-piperazine; ethanedioic acid Openeye Name: 1-benzylsulfonyl-4-cyclohexyl-piperazine; oxalic acid CAS Name: 1-cyclohexyl-4-(phenylmethyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-benzylsulfonyl-4-cyclohexylpiperazine; oxalic acid Traditional Name: 1-benzylsulfonyl-4-cyclohexyl-piperazine; oxalic acid Formula: C19H28N2O6S MolecularWeight: 412.50042

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H26N2O2S.C2H2O4/c20-22(21,15-16-7-3-1-4-8-16)19-13-11-18(12-14-19)17-9-5-2-6-10-17;3-1(4)2(5)6/h1,3-4,7-8,17H,2,5-6,9-15H2;(H,3,4)(H,5,6)