phenanthridin-6-ylmethyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: phenanthridin-6-ylmethyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: phenanthridin-6-ylmethyl 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid phenanthridin-6-ylmethyl ester Formula: C26H23FN2O4S MolecularWeight: 478.535223

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NC4=CC=CC=C4C5=CC=CC=C53)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NC4=CC=CC=C4C5=CC=CC=C53)F

InChI

InChI=1S/C26H23FN2O4S/c27-22-13-12-18(16-25(22)34(31,32)29-14-6-1-7-15-29)26(30)33-17-24-21-10-3-2-8-19(21)20-9-4-5-11-23(20)28-24/h2-5,8-13,16H,1,6-7,14-15,17H2