4-[4-[6-methyl-2-[(2,4,6-trimethylphenyl)amino]pyridin-3-yl]sulfonylphenoxy]butanenitrile

Systemtic Name: 4-[4-[6-methyl-2-[(2,4,6-trimethylphenyl)amino]pyridin-3-yl]sulfonylphenoxy]butanenitrile Openeye Name: 4-[4-[[6-methyl-2-(2,4,6-trimethylanilino)-3-pyridyl]sulfonyl]phenoxy]butanenitrile CAS Name: 4-[4-[[6-methyl-2-(2,4,6-trimethylanilino)-3-pyridinyl]sulfonyl]phenoxy]butanenitrile IUPAC Name: 4-[4-[6-methyl-2-(2,4,6-trimethylanilino)pyridin-3-yl]sulfonylphenoxy]butanenitrile Traditional Name: 4-[4-[(2-mesidino-6-methyl-3-pyridyl)sulfonyl]phenoxy]butyronitrile Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OCCCC#N)NC3=C(C=C(C=C3C)C)C

Isomeric SMILES

CC1=NC(=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OCCCC#N)NC3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C25H27N3O3S/c1-17-15-18(2)24(19(3)16-17)28-25-23(12-7-20(4)27-25)32(29,30)22-10-8-21(9-11-22)31-14-6-5-13-26/h7-12,15-16H,5-6,14H2,1-4H3,(H,27,28)