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

Systemtic Name: 4-[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl]-1,4-benzoxazepine-3,5-dione Openeye Name: 4-[2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl]-1,4-benzoxazepine-3,5-dione CAS Name: 4-[2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl]-1,4-benzoxazepine-3,5-dione IUPAC Name: 4-[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl]-1,4-benzoxazepine-3,5-dione Traditional Name: 4-[2-keto-2-(4-piperidinosulfonylphenyl)ethyl]-1,4-benzoxazepine-3,5-quinone Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CN3C(=O)COC4=CC=CC=C4C3=O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CN3C(=O)COC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H22N2O6S/c25-19(14-24-21(26)15-30-20-7-3-2-6-18(20)22(24)27)16-8-10-17(11-9-16)31(28,29)23-12-4-1-5-13-23/h2-3,6-11H,1,4-5,12-15H2