N-[2-(3-methylsulfanylpiperazin-1-yl)-2-(4-propan-2-ylsulfonylphenyl)ethyl]propane-2-sulfonamide

Systemtic Name: N-[2-(3-methylsulfanylpiperazin-1-yl)-2-(4-propan-2-ylsulfonylphenyl)ethyl]propane-2-sulfonamide Openeye Name: N-[2-(4-isopropylsulfonylphenyl)-2-(3-methylsulfanylpiperazin-1-yl)ethyl]propane-2-sulfonamide CAS Name: N-[2-[3-(methylthio)-1-piperazinyl]-2-(4-propan-2-ylsulfonylphenyl)ethyl]-2-propanesulfonamide IUPAC Name: N-[2-(3-methylsulfanylpiperazin-1-yl)-2-(4-propan-2-ylsulfonylphenyl)ethyl]propane-2-sulfonamide Traditional Name: N-[2-(4-isopropylsulfonylphenyl)-2-[3-(methylthio)piperazino]ethyl]propane-2-sulfonamide Formula: C19H33N3O4S3 MolecularWeight: 463.67802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H33N3O4S3/c1-14(2)28(23,24)17-8-6-16(7-9-17)18(12-21-29(25,26)15(3)4)22-11-10-20-19(13-22)27-5/h6-9,14-15,18-21H,10-13H2,1-5H3