4-[3-methoxy-4,6-dimethyl-2-(1,2-oxazin-2-yl)cyclohexa-1,4-dien-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[3-methoxy-4,6-dimethyl-2-(1,2-oxazin-2-yl)cyclohexa-1,4-dien-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[3-methoxy-4,6-dimethyl-2-(oxazin-2-yl)cyclohexa-1,4-dien-1-yl]sulfonylbenzonitrile CAS Name: 4-[[3-methoxy-4,6-dimethyl-2-(2-oxazinyl)-1-cyclohexa-1,4-dienyl]sulfonyl]benzonitrile IUPAC Name: 4-[3-methoxy-4,6-dimethyl-2-(oxazin-2-yl)cyclohexa-1,4-dien-1-yl]sulfonylbenzonitrile Traditional Name: 4-[3-methoxy-4,6-dimethyl-2-(oxazin-2-yl)cyclohexa-1,4-dien-1-yl]sulfonylbenzonitrile Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(C(C(=C1S(=O)(=O)C2=CC=C(C=C2)C#N)N3C=CC=CO3)OC)C

Isomeric SMILES

CC1C=C(C(C(=C1S(=O)(=O)C2=CC=C(C=C2)C#N)N3C=CC=CO3)OC)C

InChI

InChI=1S/C20H20N2O4S/c1-14-12-15(2)20(18(19(14)25-3)22-10-4-5-11-26-22)27(23,24)17-8-6-16(13-21)7-9-17/h4-12,15,19H,1-3H3