ethyl 3-bromanyl-4-[[2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]benzoate

Systemtic Name: ethyl 3-bromanyl-4-[[2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]benzoate Openeye Name: ethyl 3-bromo-4-[[2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]benzoate CAS Name: 3-bromo-4-[[2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-[[2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]benzoate Traditional Name: 3-bromo-4-[[2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]benzoic acid ethyl ester Formula: C19H19BrN2O6S MolecularWeight: 483.33296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CC(OC3=CC=CC=C32)C(=O)NC)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CC(OC3=CC=CC=C32)C(=O)NC)Br

InChI

InChI=1S/C19H19BrN2O6S/c1-3-27-19(24)12-8-9-17(13(20)10-12)29(25,26)22-11-16(18(23)21-2)28-15-7-5-4-6-14(15)22/h4-10,16H,3,11H2,1-2H3,(H,21,23)