5-[4-[6-methyl-2-[(2,4,6-trimethylphenyl)amino]pyridin-3-yl]sulfonylphenoxy]pentanenitrile

Systemtic Name: 5-[4-[6-methyl-2-[(2,4,6-trimethylphenyl)amino]pyridin-3-yl]sulfonylphenoxy]pentanenitrile Openeye Name: 5-[4-[[6-methyl-2-(2,4,6-trimethylanilino)-3-pyridyl]sulfonyl]phenoxy]pentanenitrile CAS Name: 5-[4-[[6-methyl-2-(2,4,6-trimethylanilino)-3-pyridinyl]sulfonyl]phenoxy]pentanenitrile IUPAC Name: 5-[4-[6-methyl-2-(2,4,6-trimethylanilino)pyridin-3-yl]sulfonylphenoxy]pentanenitrile Traditional Name: 5-[4-[(2-mesidino-6-methyl-3-pyridyl)sulfonyl]phenoxy]valeronitrile Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O3S/c1-18-16-19(2)25(20(3)17-18)29-26-24(13-8-21(4)28-26)33(30,31)23-11-9-22(10-12-23)32-15-7-5-6-14-27/h8-13,16-17H,5-7,15H2,1-4H3,(H,28,29)