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

Systemtic Name: [4-[(4-methylphenyl)sulfanylmethyl]phenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [4-(p-tolylsulfanylmethyl)phenyl]-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1-piperazinyl]-[4-[[(4-methylphenyl)thio]methyl]phenyl]methanone IUPAC Name: [4-[(4-methylphenyl)sulfanylmethyl]phenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [4-[(p-tolylthio)methyl]phenyl]-(4-tosylpiperazino)methanone Formula: C26H28N2O3S2 MolecularWeight: 480.64212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H28N2O3S2/c1-20-3-11-24(12-4-20)32-19-22-7-9-23(10-8-22)26(29)27-15-17-28(18-16-27)33(30,31)25-13-5-21(2)6-14-25/h3-14H,15-19H2,1-2H3