N-[3-[[3-cyano-5-(3,4-dimethoxyphenyl)pyridin-4-yl]amino]phenyl]methanesulfonamide

Systemtic Name: N-[3-[[3-cyano-5-(3,4-dimethoxyphenyl)pyridin-4-yl]amino]phenyl]methanesulfonamide Openeye Name: N-[3-[[3-cyano-5-(3,4-dimethoxyphenyl)-4-pyridyl]amino]phenyl]methanesulfonamide CAS Name: N-[3-[[3-cyano-5-(3,4-dimethoxyphenyl)-4-pyridinyl]amino]phenyl]methanesulfonamide IUPAC Name: N-[3-[[3-cyano-5-(3,4-dimethoxyphenyl)pyridin-4-yl]amino]phenyl]methanesulfonamide Traditional Name: N-[3-[[3-cyano-5-(3,4-dimethoxyphenyl)-4-pyridyl]amino]phenyl]methanesulfonamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=CN=C2)C#N)NC3=CC(=CC=C3)NS(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=CN=C2)C#N)NC3=CC(=CC=C3)NS(=O)(=O)C)OC

InChI

InChI=1S/C21H20N4O4S/c1-28-19-8-7-14(9-20(19)29-2)18-13-23-12-15(11-22)21(18)24-16-5-4-6-17(10-16)25-30(3,26)27/h4-10,12-13,25H,1-3H3,(H,23,24)