N-[2-(3-methylsulfanylpiperazin-1-yl)-4-propan-2-ylsulfonyl-phenyl]-2-oxidanyl-benzenesulfonamide

Systemtic Name: N-[2-(3-methylsulfanylpiperazin-1-yl)-4-propan-2-ylsulfonyl-phenyl]-2-oxidanyl-benzenesulfonamide Openeye Name: 2-hydroxy-N-[4-isopropylsulfonyl-2-(3-methylsulfanylpiperazin-1-yl)phenyl]benzenesulfonamide CAS Name: 2-hydroxy-N-[2-[3-(methylthio)-1-piperazinyl]-4-propan-2-ylsulfonylphenyl]benzenesulfonamide IUPAC Name: 2-hydroxy-N-[2-(3-methylsulfanylpiperazin-1-yl)-4-propan-2-ylsulfonylphenyl]benzenesulfonamide Traditional Name: 2-hydroxy-N-[4-isopropylsulfonyl-2-[3-(methylthio)piperazino]phenyl]benzenesulfonamide Formula: C20H27N3O5S3 MolecularWeight: 485.64048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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