methyl 4-[4-chloranyl-2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: methyl 4-[4-chloranyl-2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: methyl 4-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: 4-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: 4-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester Formula: C17H13ClF3NO5S MolecularWeight: 435.80203

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(C2=CC=CC=C2O1)S(=O)(=O)C3=C(C=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

COC(=O)C1CN(C2=CC=CC=C2O1)S(=O)(=O)C3=C(C=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C17H13ClF3NO5S/c1-26-16(23)14-9-22(12-4-2-3-5-13(12)27-14)28(24,25)15-7-6-10(18)8-11(15)17(19,20)21/h2-8,14H,9H2,1H3