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

Systemtic Name: [3-(methylsulfanylmethyl)phenyl]-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-[3-(methylsulfanylmethyl)phenyl]methanone CAS Name: [3-[(methylthio)methyl]phenyl]-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-[3-(methylsulfanylmethyl)phenyl]methanone Traditional Name: (4-benzylsulfonylpiperazino)-[3-[(methylthio)methyl]phenyl]methanone Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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