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

Systemtic Name: 3-methylsulfanyl-1-[2-(phenylsulfonyl)-4-propan-2-ylsulfonyl-phenyl]piperazine Openeye Name: 1-[2-(benzenesulfonyl)-4-isopropylsulfonyl-phenyl]-3-methylsulfanyl-piperazine CAS Name: 1-[2-(benzenesulfonyl)-4-propan-2-ylsulfonylphenyl]-3-(methylthio)piperazine IUPAC Name: 1-[2-(benzenesulfonyl)-4-propan-2-ylsulfonylphenyl]-3-methylsulfanylpiperazine Traditional Name: 1-(2-besyl-4-isopropylsulfonyl-phenyl)-3-(methylthio)piperazine Formula: C20H26N2O4S3 MolecularWeight: 454.62644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4S3/c1-15(2)28(23,24)17-9-10-18(22-12-11-21-20(14-22)27-3)19(13-17)29(25,26)16-7-5-4-6-8-16/h4-10,13,15,20-21H,11-12,14H2,1-3H3