(2-methyl-5-methylsulfanyl-phenyl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2-methyl-5-methylsulfanyl-phenyl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-(2-methyl-5-methylsulfanyl-phenyl)methanone CAS Name: [2-methyl-5-(methylthio)phenyl]-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-(2-methyl-5-methylsulfanylphenyl)methanone Traditional Name: (4-benzylsulfonylpiperazino)-[2-methyl-5-(methylthio)phenyl]methanone Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)SC)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

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