phenanthridin-6-ylmethyl 1-[3,4-bis(fluoranyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: phenanthridin-6-ylmethyl 1-[3,4-bis(fluoranyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: phenanthridin-6-ylmethyl 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-difluorophenyl)sulfonyl-4-piperidinecarboxylic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-difluorophenyl)sulfonylisonipecotic acid phenanthridin-6-ylmethyl ester Formula: C26H22F2N2O4S MolecularWeight: 496.525686

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42)S(=O)(=O)C5=CC(=C(C=C5)F)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42)S(=O)(=O)C5=CC(=C(C=C5)F)F

InChI

InChI=1S/C26H22F2N2O4S/c27-22-10-9-18(15-23(22)28)35(32,33)30-13-11-17(12-14-30)26(31)34-16-25-21-7-2-1-5-19(21)20-6-3-4-8-24(20)29-25/h1-10,15,17H,11-14,16H2