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

Systemtic Name: 2-methyl-4-[2-oxidanylidene-2-(3-pyrrolidin-1-ylsulfonylphenyl)ethyl]-1,4-benzoxazepine-3,5-dione Openeye Name: 2-methyl-4-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylphenyl)ethyl]-1,4-benzoxazepine-3,5-dione CAS Name: 2-methyl-4-[2-oxo-2-[3-(1-pyrrolidinylsulfonyl)phenyl]ethyl]-1,4-benzoxazepine-3,5-dione IUPAC Name: 2-methyl-4-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylphenyl)ethyl]-1,4-benzoxazepine-3,5-dione Traditional Name: 4-[2-keto-2-(3-pyrrolidinosulfonylphenyl)ethyl]-2-methyl-1,4-benzoxazepine-3,5-quinone Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C(=O)C2=CC=CC=C2O1)CC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1C(=O)N(C(=O)C2=CC=CC=C2O1)CC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H22N2O6S/c1-15-21(26)24(22(27)18-9-2-3-10-20(18)30-15)14-19(25)16-7-6-8-17(13-16)31(28,29)23-11-4-5-12-23/h2-3,6-10,13,15H,4-5,11-12,14H2,1H3