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

Systemtic Name: 3-bromanyl-1-(4-methylsulfanyl-2-propan-2-ylsulfonyl-phenyl)piperazine Openeye Name: 3-bromo-1-(2-isopropylsulfonyl-4-methylsulfanyl-phenyl)piperazine CAS Name: 3-bromo-1-[4-(methylthio)-2-propan-2-ylsulfonylphenyl]piperazine IUPAC Name: 3-bromo-1-(4-methylsulfanyl-2-propan-2-ylsulfonylphenyl)piperazine Traditional Name: 3-bromo-1-[2-isopropylsulfonyl-4-(methylthio)phenyl]piperazine Formula: C14H21BrN2O2S2 MolecularWeight: 393.36274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21BrN2O2S2/c1-10(2)21(18,19)13-8-11(20-3)4-5-12(13)17-7-6-16-14(15)9-17/h4-5,8,10,14,16H,6-7,9H2,1-3H3