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

Systemtic Name: methyl 4-chloranyl-3-[(4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[(4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzoate CAS Name: 4-chloro-3-[[(4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzoate Traditional Name: 4-chloro-3-[(4-esyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzoic acid methyl ester Formula: C19H19ClN2O6S MolecularWeight: 438.88196

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl

Isomeric SMILES

CCS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl

InChI

InChI=1S/C19H19ClN2O6S/c1-3-29(25,26)22-11-17(28-16-7-5-4-6-15(16)22)18(23)21-14-10-12(19(24)27-2)8-9-13(14)20/h4-10,17H,3,11H2,1-2H3,(H,21,23)