2-[4-(8-methyl-2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(8-methyl-2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidyl]sulfonyl]benzonitrile CAS Name: 2-[[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(2-keto-8-methyl-4H-3,1-benzoxazin-1-yl)piperidino]sulfonylbenzonitrile Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C(=O)OC2)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CC1=CC=CC2=C1N(C(=O)OC2)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H21N3O4S/c1-15-5-4-7-17-14-28-21(25)24(20(15)17)18-9-11-23(12-10-18)29(26,27)19-8-3-2-6-16(19)13-22/h2-8,18H,9-12,14H2,1H3