1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[2,3,4-tris(fluoranyl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[2,3,4-tris(fluoranyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-(2,3,4-trifluorophenyl)-4-piperidinecarboxamide IUPAC Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-(2,3,4-trifluorophenyl)isonipecotamide Formula: C19H18F3N3O5S MolecularWeight: 457.42353

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C(=C(C=C3)F)F)F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C(=C(C=C3)F)F)F

InChI

InChI=1S/C19H18F3N3O5S/c1-11-2-3-13(25(27)28)10-16(11)31(29,30)24-8-6-12(7-9-24)19(26)23-15-5-4-14(20)17(21)18(15)22/h2-5,10,12H,6-9H2,1H3,(H,23,26)