[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]-(5-methylsulfonyl-2-propan-2-ylsulfanyl-phenyl)methanone

Systemtic Name: [4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]-(5-methylsulfonyl-2-propan-2-ylsulfanyl-phenyl)methanone Openeye Name: [4-(2-chloro-4-nitro-phenyl)piperazin-1-yl]-(2-isopropylsulfanyl-5-methylsulfonyl-phenyl)methanone CAS Name: [4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-[5-methylsulfonyl-2-(propan-2-ylthio)phenyl]methanone IUPAC Name: [4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-(5-methylsulfonyl-2-propan-2-ylsulfanylphenyl)methanone Traditional Name: [4-(2-chloro-4-nitro-phenyl)piperazino]-[2-(isopropylthio)-5-mesyl-phenyl]methanone Formula: C21H24ClN3O5S2 MolecularWeight: 498.01536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)SC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H24ClN3O5S2/c1-14(2)31-20-7-5-16(32(3,29)30)13-17(20)21(26)24-10-8-23(9-11-24)19-6-4-15(25(27)28)12-18(19)22/h4-7,12-14H,8-11H2,1-3H3