(2-methylsulfanylpyridin-3-yl)-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: (2-methylsulfanylpyridin-3-yl)-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methanone Openeye Name: (2-methylsulfanyl-3-pyridyl)-(4-tetralin-6-ylsulfonylpiperazin-1-yl)methanone CAS Name: [2-(methylthio)-3-pyridinyl]-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazinyl]methanone IUPAC Name: (2-methylsulfanylpyridin-3-yl)-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methanone Traditional Name: [2-(methylthio)-3-pyridyl]-(4-tetralin-6-ylsulfonylpiperazino)methanone Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCCC4)C=C3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCCC4)C=C3

InChI

InChI=1S/C21H25N3O3S2/c1-28-20-19(7-4-10-22-20)21(25)23-11-13-24(14-12-23)29(26,27)18-9-8-16-5-2-3-6-17(16)15-18/h4,7-10,15H,2-3,5-6,11-14H2,1H3