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

Systemtic Name: 2-ethyl-4-[2-oxidanylidene-2-(3-pyrrolidin-1-ylsulfonylphenyl)ethyl]-1,4-benzoxazepine-3,5-dione Openeye Name: 2-ethyl-4-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylphenyl)ethyl]-1,4-benzoxazepine-3,5-dione CAS Name: 2-ethyl-4-[2-oxo-2-[3-(1-pyrrolidinylsulfonyl)phenyl]ethyl]-1,4-benzoxazepine-3,5-dione IUPAC Name: 2-ethyl-4-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylphenyl)ethyl]-1,4-benzoxazepine-3,5-dione Traditional Name: 2-ethyl-4-[2-keto-2-(3-pyrrolidinosulfonylphenyl)ethyl]-1,4-benzoxazepine-3,5-quinone Formula: C23H24N2O6S MolecularWeight: 456.51146

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C(=O)C2=CC=CC=C2O1)CC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCC1C(=O)N(C(=O)C2=CC=CC=C2O1)CC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H24N2O6S/c1-2-20-23(28)25(22(27)18-10-3-4-11-21(18)31-20)15-19(26)16-8-7-9-17(14-16)32(29,30)24-12-5-6-13-24/h3-4,7-11,14,20H,2,5-6,12-13,15H2,1H3