7-[3-(azepan-1-yl)-3-oxidanylidene-propyl]sulfonyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 7-[3-(azepan-1-yl)-3-oxidanylidene-propyl]sulfonyl-4H-1,4-benzoxazin-3-one Openeye Name: 7-[3-(azepan-1-yl)-3-oxo-propyl]sulfonyl-4H-1,4-benzoxazin-3-one CAS Name: 7-[3-(1-azepanyl)-3-oxopropyl]sulfonyl-4H-1,4-benzoxazin-3-one IUPAC Name: 7-[3-(azepan-1-yl)-3-oxopropyl]sulfonyl-4H-1,4-benzoxazin-3-one Traditional Name: 7-[3-(azepan-1-yl)-3-keto-propyl]sulfonyl-4H-1,4-benzoxazin-3-one Formula: C17H22N2O5S MolecularWeight: 366.43198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CO3

Isomeric SMILES

C1CCCN(CC1)C(=O)CCS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CO3

InChI

InChI=1S/C17H22N2O5S/c20-16-12-24-15-11-13(5-6-14(15)18-16)25(22,23)10-7-17(21)19-8-3-1-2-4-9-19/h5-6,11H,1-4,7-10,12H2,(H,18,20)