4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,4-benzoxazin-3-one

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,4-benzoxazin-3-one Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethyl]-6-[(3,5-dimethyl-1-piperidyl)sulfonyl]-1,4-benzoxazin-3-one CAS Name: 4-[2-(1-azepanyl)-2-oxoethyl]-6-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethyl]-6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,4-benzoxazin-3-one Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethyl]-6-(3,5-dimethylpiperidino)sulfonyl-1,4-benzoxazin-3-one Formula: C23H33N3O5S MolecularWeight: 463.59022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)N4CCCCCC4)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)N4CCCCCC4)C

InChI

InChI=1S/C23H33N3O5S/c1-17-11-18(2)14-25(13-17)32(29,30)19-7-8-21-20(12-19)26(23(28)16-31-21)15-22(27)24-9-5-3-4-6-10-24/h7-8,12,17-18H,3-6,9-11,13-16H2,1-2H3