(2-phenylsulfanylpyridin-3-yl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: (2-phenylsulfanylpyridin-3-yl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-(2-phenylsulfanyl-3-pyridyl)methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-[2-(phenylthio)-3-pyridinyl]methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Traditional Name: (4-besylpiperazino)-[2-(phenylthio)-3-pyridyl]methanone Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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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)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3S2/c26-22(20-12-7-13-23-21(20)29-18-8-3-1-4-9-18)24-14-16-25(17-15-24)30(27,28)19-10-5-2-6-11-19/h1-13H,14-17H2