(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (1-phenyltetrazol-5-yl)methyl 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid (1-phenyl-5-tetrazolyl)methyl ester IUPAC Name: (1-phenyltetrazol-5-yl)methyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid (1-phenyltetrazol-5-yl)methyl ester Formula: C20H20FN5O4S MolecularWeight: 445.467303

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NN=NN3C4=CC=CC=C4)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NN=NN3C4=CC=CC=C4)F

InChI

InChI=1S/C20H20FN5O4S/c21-17-10-9-15(13-18(17)31(28,29)25-11-5-2-6-12-25)20(27)30-14-19-22-23-24-26(19)16-7-3-1-4-8-16/h1,3-4,7-10,13H,2,5-6,11-12,14H2