1-[5-(2-hydroxyphenyl)-2-(propan-2-ylsulfonylsulfonylamino)phenyl]-3-methylsulfanyl-piperazine

Systemtic Name: 1-[5-(2-hydroxyphenyl)-2-(propan-2-ylsulfonylsulfonylamino)phenyl]-3-methylsulfanyl-piperazine Openeye Name: 1-[5-(2-hydroxyphenyl)-2-(isopropylsulfonylsulfonylamino)phenyl]-3-methylsulfanyl-piperazine CAS Name: 1-[5-(2-hydroxyphenyl)-2-(propan-2-ylsulfonylsulfonylamino)phenyl]-3-(methylthio)piperazine IUPAC Name: 1-[5-(2-hydroxyphenyl)-2-(propan-2-ylsulfonylsulfonylamino)phenyl]-3-methylsulfanylpiperazine Traditional Name: 1-[5-(2-hydroxyphenyl)-2-(isopropylsulfonylsulfonylamino)phenyl]-3-(methylthio)piperazine Formula: C20H27N3O5S3 MolecularWeight: 485.64048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)S(=O)(=O)NC1=C(C=C(C=C1)C2=CC=CC=C2O)N3CCNC(C3)SC

Isomeric SMILES

CC(C)S(=O)(=O)S(=O)(=O)NC1=C(C=C(C=C1)C2=CC=CC=C2O)N3CCNC(C3)SC

InChI

InChI=1S/C20H27N3O5S3/c1-14(2)30(25,26)31(27,28)22-17-9-8-15(16-6-4-5-7-19(16)24)12-18(17)23-11-10-21-20(13-23)29-3/h4-9,12,14,20-22,24H,10-11,13H2,1-3H3