[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-(3-methyl-4-nitro-phenyl)methanone

Systemtic Name: [4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-(3-methyl-4-nitro-phenyl)methanone Openeye Name: [4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]-(3-methyl-4-nitro-phenyl)methanone CAS Name: [4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-(3-methyl-4-nitrophenyl)methanone IUPAC Name: [4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-4-nitrophenyl)methanone Traditional Name: [4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]-(3-methyl-4-nitro-phenyl)methanone Formula: C18H17ClFN3O5S MolecularWeight: 441.861083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClFN3O5S/c1-12-10-13(2-5-17(12)23(25)26)18(24)21-6-8-22(9-7-21)29(27,28)14-3-4-16(20)15(19)11-14/h2-5,10-11H,6-9H2,1H3