[4-(phenylmethyl)sulfonylpiperazin-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone

Systemtic Name: [4-(phenylmethyl)sulfonylpiperazin-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-(2-phenylsulfanyl-3-pyridyl)methanone CAS Name: [4-(phenylmethyl)sulfonyl-1-piperazinyl]-[2-(phenylthio)-3-pyridinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-(2-phenylsulfanylpyridin-3-yl)methanone Traditional Name: (4-benzylsulfonylpiperazino)-[2-(phenylthio)-3-pyridyl]methanone Formula: C23H23N3O3S2 MolecularWeight: 453.57702

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H23N3O3S2/c27-23(21-12-7-13-24-22(21)30-20-10-5-2-6-11-20)25-14-16-26(17-15-25)31(28,29)18-19-8-3-1-4-9-19/h1-13H,14-18H2