ethanedioic acid; 1-[(4-ethylphenyl)methyl]-4-(phenylmethyl)sulfonyl-piperazine

Systemtic Name: ethanedioic acid; 1-[(4-ethylphenyl)methyl]-4-(phenylmethyl)sulfonyl-piperazine Openeye Name: 1-benzylsulfonyl-4-[(4-ethylphenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(4-ethylphenyl)methyl]-4-(phenylmethyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-benzylsulfonyl-4-[(4-ethylphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-benzylsulfonyl-4-(4-ethylbenzyl)piperazine; oxalic acid Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H26N2O2S.C2H2O4/c1-2-18-8-10-19(11-9-18)16-21-12-14-22(15-13-21)25(23,24)17-20-6-4-3-5-7-20;3-1(4)2(5)6/h3-11H,2,12-17H2,1H3;(H,3,4)(H,5,6)