4-[2-[4-(azepan-1-ylsulfonyl)phenyl]-2-oxidanylidene-ethyl]-1,4-benzoxazepine-3,5-dione

Systemtic Name: 4-[2-[4-(azepan-1-ylsulfonyl)phenyl]-2-oxidanylidene-ethyl]-1,4-benzoxazepine-3,5-dione Openeye Name: 4-[2-[4-(azepan-1-ylsulfonyl)phenyl]-2-oxo-ethyl]-1,4-benzoxazepine-3,5-dione CAS Name: 4-[2-[4-(1-azepanylsulfonyl)phenyl]-2-oxoethyl]-1,4-benzoxazepine-3,5-dione IUPAC Name: 4-[2-[4-(azepan-1-ylsulfonyl)phenyl]-2-oxoethyl]-1,4-benzoxazepine-3,5-dione Traditional Name: 4-[2-[4-(azepan-1-ylsulfonyl)phenyl]-2-keto-ethyl]-1,4-benzoxazepine-3,5-quinone Formula: C23H24N2O6S MolecularWeight: 456.51146

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CN3C(=O)COC4=CC=CC=C4C3=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CN3C(=O)COC4=CC=CC=C4C3=O

InChI

InChI=1S/C23H24N2O6S/c26-20(15-25-22(27)16-31-21-8-4-3-7-19(21)23(25)28)17-9-11-18(12-10-17)32(29,30)24-13-5-1-2-6-14-24/h3-4,7-12H,1-2,5-6,13-16H2