1-(2,4-dimethylphenyl)sulfonyl-4-phenethyl-piperazine; ethanedioic acid

Systemtic Name: 1-(2,4-dimethylphenyl)sulfonyl-4-phenethyl-piperazine; ethanedioic acid Openeye Name: 1-(2,4-dimethylphenyl)sulfonyl-4-phenethyl-piperazine; oxalic acid CAS Name: 1-(2,4-dimethylphenyl)sulfonyl-4-phenethylpiperazine; oxalic acid IUPAC Name: 1-(2,4-dimethylphenyl)sulfonyl-4-phenethylpiperazine; oxalic acid Traditional Name: 1-(2,4-dimethylphenyl)sulfonyl-4-phenethyl-piperazine; oxalic acid Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC3=CC=CC=C3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC3=CC=CC=C3)C.C(=O)(C(=O)O)O

InChI

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