(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidin-4-yl]methanone

Systemtic Name: (2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidin-4-yl]methanone Openeye Name: (2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[1-[5-[(E)-2-(2-fluorophenyl)vinyl]-3-methyl-isoxazol-4-yl]sulfonyl-4-piperidyl]methanone CAS Name: (2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-4-isoxazolyl]sulfonyl]-4-piperidinyl]methanone IUPAC Name: (2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidin-4-yl]methanone Traditional Name: (2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[1-[5-[(E)-2-(2-fluorophenyl)vinyl]-3-methyl-isoxazol-4-yl]sulfonyl-4-piperidyl]methanone Formula: C29H32FN3O5S MolecularWeight: 553.644883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(C2=C(O1)C=CC(=C2)C)C(=O)C3CCN(CC3)S(=O)(=O)C4=C(ON=C4C)C=CC5=CC=CC=C5F

Isomeric SMILES

CCC1CN(C2=C(O1)C=CC(=C2)C)C(=O)C3CCN(CC3)S(=O)(=O)C4=C(ON=C4C)/C=C/C5=CC=CC=C5F

InChI

InChI=1S/C29H32FN3O5S/c1-4-23-18-33(25-17-19(2)9-11-26(25)37-23)29(34)22-13-15-32(16-14-22)39(35,36)28-20(3)31-38-27(28)12-10-21-7-5-6-8-24(21)30/h5-12,17,22-23H,4,13-16,18H2,1-3H3/b12-10+