4-[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxidanylidene-ethyl]-1,4-benzoxazepine-3,5-dione

Systemtic Name: 4-[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxidanylidene-ethyl]-1,4-benzoxazepine-3,5-dione Openeye Name: 4-[2-(4-morpholinosulfonylphenyl)-2-oxo-ethyl]-1,4-benzoxazepine-3,5-dione CAS Name: 4-[2-[4-(4-morpholinylsulfonyl)phenyl]-2-oxoethyl]-1,4-benzoxazepine-3,5-dione IUPAC Name: 4-[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5-dione Traditional Name: 4-[2-keto-2-(4-morpholinosulfonylphenyl)ethyl]-1,4-benzoxazepine-3,5-quinone Formula: C21H20N2O7S MolecularWeight: 444.4577

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)CN3C(=O)COC4=CC=CC=C4C3=O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)CN3C(=O)COC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H20N2O7S/c24-18(13-23-20(25)14-30-19-4-2-1-3-17(19)21(23)26)15-5-7-16(8-6-15)31(27,28)22-9-11-29-12-10-22/h1-8H,9-14H2