N-[1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[1-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-3-methylsulfanyl-propyl]-4-methyl-benzenesulfonamide CAS Name: N-[1-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-4-(methylthio)-1-oxobutan-2-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[1-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-3-(methylthio)propyl]-4-methyl-benzenesulfonamide Formula: C22H28FN3O5S3 MolecularWeight: 529.668223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H28FN3O5S3/c1-17-3-7-19(8-4-17)33(28,29)24-21(11-16-32-2)22(27)25-12-14-26(15-13-25)34(30,31)20-9-5-18(23)6-10-20/h3-10,21,24H,11-16H2,1-2H3