ethyl 3-[(6-chloranyl-4-ethanoyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonylamino]benzoate

Systemtic Name: ethyl 3-[(6-chloranyl-4-ethanoyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonylamino]benzoate Openeye Name: ethyl 3-[(4-acetyl-6-chloro-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonylamino]benzoate CAS Name: 3-[(4-acetyl-6-chloro-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonylamino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-acetyl-6-chloro-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonylamino]benzoate Traditional Name: 3-[(4-acetyl-6-chloro-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonylamino]benzoic acid ethyl ester Formula: C19H19ClN2O6S MolecularWeight: 438.88196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=C(C=C3C(=C2)OCCN3C(=O)C)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=C(C=C3C(=C2)OCCN3C(=O)C)Cl

InChI

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