N-(4-fluoranyl-3-nitro-phenyl)-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-fluoranyl-3-nitro-phenyl)-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-fluoro-3-nitro-phenyl)-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(4-fluoro-3-nitrophenyl)-1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-fluoro-3-nitrophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-fluoro-3-nitro-phenyl)-1-(4-methoxyphenyl)sulfonyl-isonipecotamide Formula: C19H20FN3O6S MolecularWeight: 437.442003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C19H20FN3O6S/c1-29-15-3-5-16(6-4-15)30(27,28)22-10-8-13(9-11-22)19(24)21-14-2-7-17(20)18(12-14)23(25)26/h2-7,12-13H,8-11H2,1H3,(H,21,24)