(3-morpholin-4-ylsulfonylphenyl)methyl 2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 2-(3-oxo-1,4-benzoxazin-4-yl)acetate CAS Name: 2-(3-oxo-1,4-benzoxazin-4-yl)acetic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-(3-oxo-1,4-benzoxazin-4-yl)acetate Traditional Name: 2-(3-keto-1,4-benzoxazin-4-yl)acetic acid (3-morpholinosulfonylbenzyl) ester Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)CN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)CN3C(=O)COC4=CC=CC=C43

InChI

InChI=1S/C21H22N2O7S/c24-20-15-29-19-7-2-1-6-18(19)23(20)13-21(25)30-14-16-4-3-5-17(12-16)31(26,27)22-8-10-28-11-9-22/h1-7,12H,8-11,13-15H2