2-[[2-(3,4-dimethoxyphenyl)sulfonyl-4-fluoranyl-phenyl]amino]-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: 2-[[2-(3,4-dimethoxyphenyl)sulfonyl-4-fluoranyl-phenyl]amino]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[2-(3,4-dimethoxyphenyl)sulfonyl-4-fluoro-anilino]-N-(3-pyridylmethyl)acetamide CAS Name: 2-[2-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[2-(3,4-dimethoxyphenyl)sulfonyl-4-fluoro-anilino]-N-(3-pyridylmethyl)acetamide Formula: C22H22FN3O5S MolecularWeight: 459.490583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)F)NCC(=O)NCC3=CN=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)F)NCC(=O)NCC3=CN=CC=C3)OC

InChI

InChI=1S/C22H22FN3O5S/c1-30-19-8-6-17(11-20(19)31-2)32(28,29)21-10-16(23)5-7-18(21)25-14-22(27)26-13-15-4-3-9-24-12-15/h3-12,25H,13-14H2,1-2H3,(H,26,27)