3-methylsulfanyl-1-(2-phenyl-4-propan-2-ylsulfonyl-phenyl)piperazine

Systemtic Name: 3-methylsulfanyl-1-(2-phenyl-4-propan-2-ylsulfonyl-phenyl)piperazine Openeye Name: 1-(4-isopropylsulfonyl-2-phenyl-phenyl)-3-methylsulfanyl-piperazine CAS Name: 3-(methylthio)-1-(2-phenyl-4-propan-2-ylsulfonylphenyl)piperazine IUPAC Name: 3-methylsulfanyl-1-(2-phenyl-4-propan-2-ylsulfonylphenyl)piperazine Traditional Name: 1-(4-isopropylsulfonyl-2-phenyl-phenyl)-3-(methylthio)piperazine Formula: C20H26N2O2S2 MolecularWeight: 390.56264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCNC(C2)SC)C3=CC=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCNC(C2)SC)C3=CC=CC=C3

InChI

InChI=1S/C20H26N2O2S2/c1-15(2)26(23,24)17-9-10-19(22-12-11-21-20(14-22)25-3)18(13-17)16-7-5-4-6-8-16/h4-10,13,15,20-21H,11-12,14H2,1-3H3