(2-morpholin-4-ylcarbonylphenyl) 6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazine-7-sulfonate

Systemtic Name: (2-morpholin-4-ylcarbonylphenyl) 6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazine-7-sulfonate Openeye Name: [2-(morpholine-4-carbonyl)phenyl] 6-chloro-3-oxo-4H-1,4-benzoxazine-7-sulfonate CAS Name: 6-chloro-3-oxo-4H-1,4-benzoxazine-7-sulfonic acid [2-[4-morpholinyl(oxo)methyl]phenyl] ester IUPAC Name: [2-(morpholine-4-carbonyl)phenyl] 6-chloro-3-oxo-4H-1,4-benzoxazine-7-sulfonate Traditional Name: 6-chloro-3-keto-4H-1,4-benzoxazine-7-sulfonic acid [2-(morpholine-4-carbonyl)phenyl] ester Formula: C19H17ClN2O7S MolecularWeight: 452.86548

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC=CC=C2OS(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl

Isomeric SMILES

C1COCCN1C(=O)C2=CC=CC=C2OS(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl

InChI

InChI=1S/C19H17ClN2O7S/c20-13-9-14-16(28-11-18(23)21-14)10-17(13)30(25,26)29-15-4-2-1-3-12(15)19(24)22-5-7-27-8-6-22/h1-4,9-10H,5-8,11H2,(H,21,23)