3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]sulfonylbenzoic acid

Systemtic Name: 3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]sulfonylbenzoic acid Openeye Name: 3-[[4-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]sulfonyl]benzoic acid CAS Name: 3-[[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1-piperidinyl]sulfonyl]benzoic acid IUPAC Name: 3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]sulfonylbenzoic acid Traditional Name: 3-[4-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]piperidino]sulfonylbenzoic acid Formula: C19H18N4O5S MolecularWeight: 414.43502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=NO2)C3=CC=NC=C3)S(=O)(=O)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1CN(CCC1C2=NC(=NO2)C3=CC=NC=C3)S(=O)(=O)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C19H18N4O5S/c24-19(25)15-2-1-3-16(12-15)29(26,27)23-10-6-14(7-11-23)18-21-17(22-28-18)13-4-8-20-9-5-13/h1-5,8-9,12,14H,6-7,10-11H2,(H,24,25)