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

Systemtic Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(2-thienyl)oxazol-4-yl]methyl 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid (2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=COC(=N2)C3=CC=CS3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=COC(=N2)C3=CC=CS3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H22N2O5S2/c1-15-7-8-16(12-19(15)30(25,26)23-9-3-2-4-10-23)21(24)28-14-17-13-27-20(22-17)18-6-5-11-29-18/h5-8,11-13H,2-4,9-10,14H2,1H3