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

Systemtic Name: 1-(4-methylsulfanyl-2-propan-2-ylsulfonyl-phenyl)-3-propan-2-ylsulfonyl-piperazine Openeye Name: 3-isopropylsulfonyl-1-(2-isopropylsulfonyl-4-methylsulfanyl-phenyl)piperazine CAS Name: 1-[4-(methylthio)-2-propan-2-ylsulfonylphenyl]-3-propan-2-ylsulfonylpiperazine IUPAC Name: 1-(4-methylsulfanyl-2-propan-2-ylsulfonylphenyl)-3-propan-2-ylsulfonylpiperazine Traditional Name: 3-isopropylsulfonyl-1-[2-isopropylsulfonyl-4-(methylthio)phenyl]piperazine Formula: C17H28N2O4S3 MolecularWeight: 420.61022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1CN(CCN1)C2=C(C=C(C=C2)SC)S(=O)(=O)C(C)C

Isomeric SMILES

CC(C)S(=O)(=O)C1CN(CCN1)C2=C(C=C(C=C2)SC)S(=O)(=O)C(C)C

InChI

InChI=1S/C17H28N2O4S3/c1-12(2)25(20,21)16-10-14(24-5)6-7-15(16)19-9-8-18-17(11-19)26(22,23)13(3)4/h6-7,10,12-13,17-18H,8-9,11H2,1-5H3