7-ethanoyl-5-(phenylsulfonyl)-4,5-dihydro-1-benzoxepin-3-one

Systemtic Name: 7-ethanoyl-5-(phenylsulfonyl)-4,5-dihydro-1-benzoxepin-3-one Openeye Name: 7-acetyl-5-(benzenesulfonyl)-4,5-dihydro-1-benzoxepin-3-one CAS Name: 7-acetyl-5-(benzenesulfonyl)-4,5-dihydro-1-benzoxepin-3-one IUPAC Name: 7-acetyl-5-(benzenesulfonyl)-4,5-dihydro-1-benzoxepin-3-one Traditional Name: 7-acetyl-5-besyl-4,5-dihydro-1-benzoxepin-3-one Formula: C18H16O5S MolecularWeight: 344.38164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)OCC(=O)CC2S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)OCC(=O)CC2S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H16O5S/c1-12(19)13-7-8-17-16(9-13)18(10-14(20)11-23-17)24(21,22)15-5-3-2-4-6-15/h2-9,18H,10-11H2,1H3