2-[2-[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]oxy-3,5-bis(fluoranyl)-6-[3-(3-methyl-1,2-dihydroimidazol-2-yl)phenoxy]pyridin-4-yl]sulfonylbenzoic acid

Systemtic Name: 2-[2-[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]oxy-3,5-bis(fluoranyl)-6-[3-(3-methyl-1,2-dihydroimidazol-2-yl)phenoxy]pyridin-4-yl]sulfonylbenzoic acid Openeye Name: 2-[[2-[3-(diaminomethylene)-6-oxo-cyclohexa-1,4-dien-1-yl]oxy-3,5-difluoro-6-[3-(3-methyl-1,2-dihydroimidazol-2-yl)phenoxy]-4-pyridyl]sulfonyl]benzoic acid CAS Name: 2-[[2-[[3-(diaminomethylidene)-6-oxo-1-cyclohexa-1,4-dienyl]oxy]-3,5-difluoro-6-[3-(3-methyl-1,2-dihydroimidazol-2-yl)phenoxy]-4-pyridinyl]sulfonyl]benzoic acid IUPAC Name: 2-[2-[3-(diaminomethylidene)-6-oxocyclohexa-1,4-dien-1-yl]oxy-3,5-difluoro-6-[3-(3-methyl-1,2-dihydroimidazol-2-yl)phenoxy]pyridin-4-yl]sulfonylbenzoic acid Traditional Name: 2-[[2-[3-(diaminomethylene)-6-keto-cyclohexa-1,4-dien-1-yl]oxy-3,5-difluoro-6-[3-(1-methyl-4-imidazolin-2-yl)phenoxy]-4-pyridyl]sulfonyl]benzoic acid Formula: C29H23F2N5O7S MolecularWeight: 623.584026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CNC1C2=CC(=CC=C2)OC3=NC(=C(C(=C3F)S(=O)(=O)C4=CC=CC=C4C(=O)O)F)OC5=CC(=C(N)N)C=CC5=O

Isomeric SMILES

CN1C=CNC1C2=CC(=CC=C2)OC3=NC(=C(C(=C3F)S(=O)(=O)C4=CC=CC=C4C(=O)O)F)OC5=CC(=C(N)N)C=CC5=O

InChI

InChI=1S/C29H23F2N5O7S/c1-36-12-11-34-26(36)16-5-4-6-17(13-16)42-27-22(30)24(44(40,41)21-8-3-2-7-18(21)29(38)39)23(31)28(35-27)43-20-14-15(25(32)33)9-10-19(20)37/h2-14,26,34H,32-33H2,1H3,(H,38,39)