1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-phenylsulfanyl-butan-1-one

Systemtic Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-phenylsulfanyl-butan-1-one Openeye Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-phenylsulfanyl-butan-1-one CAS Name: 1-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-4-(phenylthio)-1-butanone IUPAC Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-phenylsulfanylbutan-1-one Traditional Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-4-(phenylthio)butan-1-one Formula: C22H28N2O3S2 MolecularWeight: 432.59932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCSC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCSC3=CC=CC=C3)C

InChI

InChI=1S/C22H28N2O3S2/c1-18-10-11-21(19(2)17-18)29(26,27)24-14-12-23(13-15-24)22(25)9-6-16-28-20-7-4-3-5-8-20/h3-5,7-8,10-11,17H,6,9,12-16H2,1-2H3