fluoranyl 3-[[6-[(4-dimethylaminophenyl)amino]-4-(furan-2-ylcarbonylimino)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamoyl]benzenesulfinate

Systemtic Name: fluoranyl 3-[[6-[(4-dimethylaminophenyl)amino]-4-(furan-2-ylcarbonylimino)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamoyl]benzenesulfinate Openeye Name: fluoro 3-[[6-[4-(dimethylamino)anilino]-4-(furan-2-carbonylimino)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamoyl]benzenesulfinate CAS Name: 3-[[[6-[4-(dimethylamino)anilino]-4-[2-furanyl(oxo)methyl]imino-3-oxo-1-cyclohexa-1,5-dienyl]amino]-oxomethyl]benzenesulfinic acid fluoro ester IUPAC Name: fluoro 3-[[6-[4-(dimethylamino)anilino]-4-(furan-2-carbonylimino)-3-oxocyclohexa-1,5-dien-1-yl]carbamoyl]benzenesulfinate Traditional Name: 3-[[6-[4-(dimethylamino)anilino]-4-(2-furoylimino)-3-keto-cyclohexa-1,5-dien-1-yl]carbamoyl]benzenesulfinic acid fluoro ester Formula: C26H21FN4O6S MolecularWeight: 536.531543

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)NC2=CC(=NC(=O)C3=CC=CO3)C(=O)C=C2NC(=O)C4=CC(=CC=C4)S(=O)OF

Isomeric SMILES

CN(C)C1=CC=C(C=C1)NC2=CC(=NC(=O)C3=CC=CO3)C(=O)C=C2NC(=O)C4=CC(=CC=C4)S(=O)OF

InChI

InChI=1S/C26H21FN4O6S/c1-31(2)18-10-8-17(9-11-18)28-20-14-22(30-26(34)24-7-4-12-36-24)23(32)15-21(20)29-25(33)16-5-3-6-19(13-16)38(35)37-27/h3-15,28H,1-2H3,(H,29,33)