[4,4-dicyano-3-methyl-1-[methyl(naphthalen-2-yl)amino]but-3-en-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [4,4-dicyano-3-methyl-1-[methyl(naphthalen-2-yl)amino]but-3-en-2-yl] 4-methylbenzenesulfonate Openeye Name: [3,3-dicyano-2-methyl-1-[[methyl(2-naphthyl)amino]methyl]allyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4,4-dicyano-3-methyl-1-[methyl(2-naphthalenyl)amino]but-3-en-2-yl] ester IUPAC Name: [4,4-dicyano-3-methyl-1-[methyl(naphthalen-2-yl)amino]but-3-en-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3,3-dicyano-2-methyl-1-[[methyl(2-naphthyl)amino]methyl]allyl] ester Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CN(C)C2=CC3=CC=CC=C3C=C2)C(=C(C#N)C#N)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(CN(C)C2=CC3=CC=CC=C3C=C2)C(=C(C#N)C#N)C

InChI

InChI=1S/C25H23N3O3S/c1-18-8-12-24(13-9-18)32(29,30)31-25(19(2)22(15-26)16-27)17-28(3)23-11-10-20-6-4-5-7-21(20)14-23/h4-14,25H,17H2,1-3H3