(2-chloranyl-5-methylsulfanyl-phenyl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2-chloranyl-5-methylsulfanyl-phenyl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (2-chloro-5-methylsulfanyl-phenyl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [2-chloro-5-(methylthio)phenyl]-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (2-chloro-5-methylsulfanylphenyl)-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [2-chloro-5-(methylthio)phenyl]-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methanone Formula: C19H20ClN3O5S2 MolecularWeight: 469.9622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)SC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)SC)Cl

InChI

InChI=1S/C19H20ClN3O5S2/c1-13-3-4-14(23(25)26)11-18(13)30(27,28)22-9-7-21(8-10-22)19(24)16-12-15(29-2)5-6-17(16)20/h3-6,11-12H,7-10H2,1-2H3