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

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3,4-difluorophenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(3,4-difluorophenyl)-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3,4-difluorophenyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3,4-difluorophenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C19H19F2N3O5S MolecularWeight: 439.433066

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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=CC(=C(C=C3)F)F

Isomeric SMILES

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

InChI

InChI=1S/C19H19F2N3O5S/c1-12-2-4-15(24(26)27)11-18(12)30(28,29)23-8-6-13(7-9-23)19(25)22-14-3-5-16(20)17(21)10-14/h2-5,10-11,13H,6-9H2,1H3,(H,22,25)