[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(3-fluoranyl-4-methyl-5-nitro-phenyl)methanone

Systemtic Name: [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(3-fluoranyl-4-methyl-5-nitro-phenyl)methanone Openeye Name: [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(3-fluoro-4-methyl-5-nitro-phenyl)methanone CAS Name: [4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-(3-fluoro-4-methyl-5-nitrophenyl)methanone IUPAC Name: [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(3-fluoro-4-methyl-5-nitrophenyl)methanone Traditional Name: [4-(3,4-dimethoxyphenyl)sulfonylpiperazino]-(3-fluoro-4-methyl-5-nitro-phenyl)methanone Formula: C20H22FN3O7S MolecularWeight: 467.467983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1F)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1F)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H22FN3O7S/c1-13-16(21)10-14(11-17(13)24(26)27)20(25)22-6-8-23(9-7-22)32(28,29)15-4-5-18(30-2)19(12-15)31-3/h4-5,10-12H,6-9H2,1-3H3