1-(cyclohex-3-en-1-ylmethyl)-4-(phenylmethyl)sulfonyl-piperazine; ethanedioic acid

Systemtic Name: 1-(cyclohex-3-en-1-ylmethyl)-4-(phenylmethyl)sulfonyl-piperazine; ethanedioic acid Openeye Name: 1-benzylsulfonyl-4-(cyclohex-3-en-1-ylmethyl)piperazine; oxalic acid CAS Name: 1-(1-cyclohex-3-enylmethyl)-4-(phenylmethyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-benzylsulfonyl-4-(cyclohex-3-en-1-ylmethyl)piperazine; oxalic acid Traditional Name: 1-benzylsulfonyl-4-(cyclohex-3-en-1-ylmethyl)piperazine; oxalic acid Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(CC=C1)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H26N2O2S.C2H2O4/c21-23(22,16-18-9-5-2-6-10-18)20-13-11-19(12-14-20)15-17-7-3-1-4-8-17;3-1(4)2(5)6/h1-3,5-6,9-10,17H,4,7-8,11-16H2;(H,3,4)(H,5,6)