[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-(4-methylsulfinylphenyl)methanone

Systemtic Name: [4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-(4-methylsulfinylphenyl)methanone Openeye Name: [4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-(4-methylsulfinylphenyl)methanone CAS Name: [4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-(4-methylsulfinylphenyl)methanone IUPAC Name: [4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-(4-methylsulfinylphenyl)methanone Traditional Name: [4-(4-chloro-2-nitro-phenyl)piperazino]-(4-methylsulfinylphenyl)methanone Formula: C18H18ClN3O4S MolecularWeight: 407.87122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O4S/c1-27(26)15-5-2-13(3-6-15)18(23)21-10-8-20(9-11-21)16-7-4-14(19)12-17(16)22(24)25/h2-7,12H,8-11H2,1H3