(4-methylsulfanyl-3-nitro-phenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone

Systemtic Name: (4-methylsulfanyl-3-nitro-phenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone Openeye Name: (4-methylsulfanyl-3-nitro-phenyl)-[4-(2-naphthylsulfonyl)piperazin-1-yl]methanone CAS Name: [4-(methylthio)-3-nitrophenyl]-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]methanone IUPAC Name: (4-methylsulfanyl-3-nitrophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone Traditional Name: [4-(methylthio)-3-nitro-phenyl]-[4-(2-naphthylsulfonyl)piperazino]methanone Formula: C22H21N3O5S2 MolecularWeight: 471.54924

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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=CC=CC=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O5S2/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/h2-9,14-15H,10-13H2,1H3