(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-piperidin-1-ylsulfonylbenzoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O5S/c25-21(28-15-19-22-20(23-29-19)16-8-3-1-4-9-16)17-10-7-11-18(14-17)30(26,27)24-12-5-2-6-13-24/h1,3-4,7-11,14H,2,5-6,12-13,15H2