N-[4-[(3Z)-3-cyano-4-(4-dimethylaminophenyl)-1,1-diisocyano-buta-1,3-dien-2-yl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[(3Z)-3-cyano-4-(4-dimethylaminophenyl)-1,1-diisocyano-buta-1,3-dien-2-yl]phenyl]methanesulfonamide Openeye Name: N-[4-[(Z)-2-cyano-1-(diisocyanomethylene)-3-(4-dimethylaminophenyl)allyl]phenyl]methanesulfonamide CAS Name: N-[4-[(3Z)-3-cyano-4-(4-dimethylaminophenyl)-1,1-diisocyanobuta-1,3-dien-2-yl]phenyl]methanesulfonamide IUPAC Name: N-[4-[(3Z)-3-cyano-4-(4-dimethylaminophenyl)-1,1-diisocyanobuta-1,3-dien-2-yl]phenyl]methanesulfonamide Traditional Name: N-[4-[(Z)-2-cyano-1-(diisocyanomethylene)-3-(4-dimethylaminophenyl)allyl]phenyl]methanesulfonamide Formula: C22H19N5O2S MolecularWeight: 417.48356

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C(C#N)C(=C([N+]#[C-])[N+]#[C-])C2=CC=C(C=C2)NS(=O)(=O)C

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=C([N+]#[C-])[N+]#[C-])C2=CC=C(C=C2)NS(=O)(=O)C

InChI

InChI=1S/C22H19N5O2S/c1-24-22(25-2)21(17-8-10-19(11-9-17)26-30(5,28)29)18(15-23)14-16-6-12-20(13-7-16)27(3)4/h6-14,26H,3-5H3/b18-14+