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

Systemtic Name: 3-methylsulfanyl-1-(4-propan-2-ylsulfonyl-2-propyl-phenyl)piperazine Openeye Name: 1-(4-isopropylsulfonyl-2-propyl-phenyl)-3-methylsulfanyl-piperazine CAS Name: 3-(methylthio)-1-(4-propan-2-ylsulfonyl-2-propylphenyl)piperazine IUPAC Name: 3-methylsulfanyl-1-(4-propan-2-ylsulfonyl-2-propylphenyl)piperazine Traditional Name: 1-(4-isopropylsulfonyl-2-propyl-phenyl)-3-(methylthio)piperazine Formula: C17H28N2O2S2 MolecularWeight: 356.54642

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)S(=O)(=O)C(C)C)N2CCNC(C2)SC

Isomeric SMILES

CCCC1=C(C=CC(=C1)S(=O)(=O)C(C)C)N2CCNC(C2)SC

InChI

InChI=1S/C17H28N2O2S2/c1-5-6-14-11-15(23(20,21)13(2)3)7-8-16(14)19-10-9-18-17(12-19)22-4/h7-8,11,13,17-18H,5-6,9-10,12H2,1-4H3