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

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-chloranyl-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 4-chloro-3-indolin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-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 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Traditional Name: 4-chloro-3-indolin-1-ylsulfonyl-benzoic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C21H19ClN2O5S MolecularWeight: 446.90396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O5S/c1-13-17(14(2)29-23-13)12-28-21(25)16-7-8-18(22)20(11-16)30(26,27)24-10-9-15-5-3-4-6-19(15)24/h3-8,11H,9-10,12H2,1-2H3