methyl 2-chloranyl-5-[(6-chloranyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)carbonylamino]benzoate

Systemtic Name: methyl 2-chloranyl-5-[(6-chloranyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)carbonylamino]benzoate Openeye Name: methyl 2-chloro-5-[(6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzoate CAS Name: 2-chloro-5-[[(6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[(6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzoate Traditional Name: 2-chloro-5-[(6-chloro-4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzoic acid methyl ester Formula: C18H16Cl2N2O6S MolecularWeight: 459.30044

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NC(=O)C2CN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC(=O)C2CN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C)Cl

InChI

InChI=1S/C18H16Cl2N2O6S/c1-27-18(24)12-8-11(4-5-13(12)20)21-17(23)16-9-22(29(2,25)26)14-7-10(19)3-6-15(14)28-16/h3-8,16H,9H2,1-2H3,(H,21,23)