(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C18H22ClN3O5S MolecularWeight: 427.90238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=N1)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

CC(C)C1=NOC(=N1)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C18H22ClN3O5S/c1-12(2)17-20-16(27-21-17)11-26-18(23)14-10-13(6-7-15(14)19)28(24,25)22-8-4-3-5-9-22/h6-7,10,12H,3-5,8-9,11H2,1-2H3