2-[6-(1,1-dicyanoprop-1-en-2-yl)-5-(methylamino)naphthalen-2-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[6-(1,1-dicyanoprop-1-en-2-yl)-5-(methylamino)naphthalen-2-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[6-(2,2-dicyano-1-methyl-vinyl)-5-(methylamino)-2-naphthyl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[6-(1,1-dicyanoprop-1-en-2-yl)-5-(methylamino)-2-naphthalenyl]ethyl ester IUPAC Name: 2-[6-(1,1-dicyanoprop-1-en-2-yl)-5-(methylamino)naphthalen-2-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[6-(2,2-dicyano-1-methyl-vinyl)-5-(methylamino)-2-naphthyl]ethyl ester Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC3=C(C=C2)C(=C(C=C3)C(=C(C#N)C#N)C)NC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC3=C(C=C2)C(=C(C=C3)C(=C(C#N)C#N)C)NC

InChI

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