[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: (3-isobutyl-1,2,4-oxadiazol-5-yl)methyl 4-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-methylpiperidino)sulfonylbenzoic acid (3-isobutyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C20H27N3O5S MolecularWeight: 421.51048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NC(=NO3)CC(C)C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NC(=NO3)CC(C)C

InChI

InChI=1S/C20H27N3O5S/c1-14(2)12-18-21-19(28-22-18)13-27-20(24)16-4-6-17(7-5-16)29(25,26)23-10-8-15(3)9-11-23/h4-7,14-15H,8-13H2,1-3H3