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

Systemtic Name: (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid [5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C20H21N3O5S2 MolecularWeight: 447.52784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC3=NN=C(O3)C4=CC=CS4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC3=NN=C(O3)C4=CC=CS4

InChI

InChI=1S/C20H21N3O5S2/c1-14-7-8-15(30(25,26)23-9-3-2-4-10-23)12-16(14)20(24)27-13-18-21-22-19(28-18)17-6-5-11-29-17/h5-8,11-12H,2-4,9-10,13H2,1H3