N-methylsulfanyl-2-[3-(phenylsulfonyl)piperazin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanamine

Systemtic Name: N-methylsulfanyl-2-[3-(phenylsulfonyl)piperazin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanamine Openeye Name: 2-[3-(benzenesulfonyl)piperazin-1-yl]-2-(4-isopropylsulfonylphenyl)-N-methylsulfanyl-ethanamine CAS Name: N-[2-[3-(benzenesulfonyl)-1-piperazinyl]-2-(4-propan-2-ylsulfonylphenyl)ethyl]methanesulfenamide IUPAC Name: 2-[3-(benzenesulfonyl)piperazin-1-yl]-N-methylsulfanyl-2-(4-propan-2-ylsulfonylphenyl)ethanamine Traditional Name: [2-(3-besylpiperazino)-2-(4-isopropylsulfonylphenyl)ethyl]-(methylthio)amine Formula: C22H31N3O4S3 MolecularWeight: 497.69424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(CNSC)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(CNSC)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H31N3O4S3/c1-17(2)31(26,27)20-11-9-18(10-12-20)21(15-24-30-3)25-14-13-23-22(16-25)32(28,29)19-7-5-4-6-8-19/h4-12,17,21-24H,13-16H2,1-3H3