N-[5-cyano-2-(4-fluorophenyl)-6-[(3-methoxyphenyl)methylamino]pyridin-3-yl]benzenesulfonamide

Systemtic Name: N-[5-cyano-2-(4-fluorophenyl)-6-[(3-methoxyphenyl)methylamino]pyridin-3-yl]benzenesulfonamide Openeye Name: N-[5-cyano-2-(4-fluorophenyl)-6-[(3-methoxyphenyl)methylamino]-3-pyridyl]benzenesulfonamide CAS Name: N-[5-cyano-2-(4-fluorophenyl)-6-[(3-methoxyphenyl)methylamino]-3-pyridinyl]benzenesulfonamide IUPAC Name: N-[5-cyano-2-(4-fluorophenyl)-6-[(3-methoxyphenyl)methylamino]pyridin-3-yl]benzenesulfonamide Traditional Name: N-[5-cyano-2-(4-fluorophenyl)-6-(m-anisylamino)-3-pyridyl]benzenesulfonamide Formula: C26H21FN4O3S MolecularWeight: 488.533343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC2=NC(=C(C=C2C#N)NS(=O)(=O)C3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=CC(=C1)CNC2=NC(=C(C=C2C#N)NS(=O)(=O)C3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H21FN4O3S/c1-34-22-7-5-6-18(14-22)17-29-26-20(16-28)15-24(25(30-26)19-10-12-21(27)13-11-19)31-35(32,33)23-8-3-2-4-9-23/h2-15,31H,17H2,1H3,(H,29,30)