(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-5-[(2-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 2-methyl-5-[(2-methyl-1-piperidinyl)sulfonyl]benzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 2-methyl-5-(2-methylpiperidino)sulfonyl-benzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OCC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OCC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O5S/c1-16-11-12-19(32(28,29)26-13-7-6-8-17(26)2)14-20(16)23(27)30-15-21-24-22(25-31-21)18-9-4-3-5-10-18/h3-5,9-12,14,17H,6-8,13,15H2,1-2H3