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

Systemtic Name: (4-methylsulfanyl-3-nitro-phenyl)-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methanone Openeye Name: (4-methylsulfanyl-3-nitro-phenyl)-(4-tetralin-6-ylsulfonylpiperazin-1-yl)methanone CAS Name: [4-(methylthio)-3-nitrophenyl]-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazinyl]methanone IUPAC Name: (4-methylsulfanyl-3-nitrophenyl)-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methanone Traditional Name: [4-(methylthio)-3-nitro-phenyl]-(4-tetralin-6-ylsulfonylpiperazino)methanone Formula: C22H25N3O5S2 MolecularWeight: 475.581

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCCC4)C=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCCC4)C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5S2/c1-31-21-9-7-18(15-20(21)25(27)28)22(26)23-10-12-24(13-11-23)32(29,30)19-8-6-16-4-2-3-5-17(16)14-19/h6-9,14-15H,2-5,10-13H2,1H3