[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[3-(methylsulfanylmethyl)phenyl]methanone

Systemtic Name: [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[3-(methylsulfanylmethyl)phenyl]methanone Openeye Name: [3-(methylsulfanylmethyl)phenyl]-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1-piperazinyl]-[3-[(methylthio)methyl]phenyl]methanone IUPAC Name: [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[3-(methylsulfanylmethyl)phenyl]methanone Traditional Name: [3-[(methylthio)methyl]phenyl]-(4-tosylpiperazino)methanone Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3S2/c1-16-6-8-19(9-7-16)27(24,25)22-12-10-21(11-13-22)20(23)18-5-3-4-17(14-18)15-26-2/h3-9,14H,10-13,15H2,1-2H3