[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 4-piperidin-1-ylsulfonylbenzoate Openeye Name: [5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid [5-(3,4-dimethoxyphenyl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid [5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl ester Formula: C24H26N2O7S MolecularWeight: 486.53744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NO2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NO2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)OC

InChI

InChI=1S/C24H26N2O7S/c1-30-21-11-8-18(14-23(21)31-2)22-15-19(25-33-22)16-32-24(27)17-6-9-20(10-7-17)34(28,29)26-12-4-3-5-13-26/h6-11,14-15H,3-5,12-13,16H2,1-2H3