(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 3-indolin-1-ylsulfonylbenzoate CAS Name: 3-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Traditional Name: 3-indolin-1-ylsulfonylbenzoic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

CC1=C(C(=NO1)C)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C21H20N2O5S/c1-14-19(15(2)28-22-14)13-27-21(24)17-7-5-8-18(12-17)29(25,26)23-11-10-16-6-3-4-9-20(16)23/h3-9,12H,10-11,13H2,1-2H3