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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CSCC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O3S2/c1-26-15-17-7-9-19(10-8-17)20(23)21-11-13-22(14-12-21)27(24,25)16-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3