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

Systemtic Name: 4-[2-oxidanylidene-2-(3-pyrrolidin-1-ylsulfonylphenyl)ethyl]-1,4-benzoxazepine-3,5-dione Openeye Name: 4-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylphenyl)ethyl]-1,4-benzoxazepine-3,5-dione CAS Name: 4-[2-oxo-2-[3-(1-pyrrolidinylsulfonyl)phenyl]ethyl]-1,4-benzoxazepine-3,5-dione IUPAC Name: 4-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylphenyl)ethyl]-1,4-benzoxazepine-3,5-dione Traditional Name: 4-[2-keto-2-(3-pyrrolidinosulfonylphenyl)ethyl]-1,4-benzoxazepine-3,5-quinone Formula: C21H20N2O6S MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)CN3C(=O)COC4=CC=CC=C4C3=O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)CN3C(=O)COC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H20N2O6S/c24-18(13-23-20(25)14-29-19-9-2-1-8-17(19)21(23)26)15-6-5-7-16(12-15)30(27,28)22-10-3-4-11-22/h1-2,5-9,12H,3-4,10-11,13-14H2