3-[[2-fluoranyl-4-(3-fluoranyl-2-methoxycarbonyl-phenyl)phenyl]methylamino]-3-oxidanylidene-propane-1-sulfonic acid

Systemtic Name: 3-[[2-fluoranyl-4-(3-fluoranyl-2-methoxycarbonyl-phenyl)phenyl]methylamino]-3-oxidanylidene-propane-1-sulfonic acid Openeye Name: 3-[[2-fluoro-4-(3-fluoro-2-methoxycarbonyl-phenyl)phenyl]methylamino]-3-oxo-propane-1-sulfonic acid CAS Name: 3-[[2-fluoro-4-(3-fluoro-2-methoxycarbonylphenyl)phenyl]methylamino]-3-oxo-1-propanesulfonic acid IUPAC Name: 3-[[2-fluoro-4-(3-fluoro-2-methoxycarbonylphenyl)phenyl]methylamino]-3-oxopropane-1-sulfonic acid Traditional Name: 3-[[4-(2-carbomethoxy-3-fluoro-phenyl)-2-fluoro-benzyl]amino]-3-keto-propane-1-sulfonic acid Formula: C18H17F2NO6S MolecularWeight: 413.392486

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC=C1F)C2=CC(=C(C=C2)CNC(=O)CCS(=O)(=O)O)F

Isomeric SMILES

COC(=O)C1=C(C=CC=C1F)C2=CC(=C(C=C2)CNC(=O)CCS(=O)(=O)O)F

InChI

InChI=1S/C18H17F2NO6S/c1-27-18(23)17-13(3-2-4-14(17)19)11-5-6-12(15(20)9-11)10-21-16(22)7-8-28(24,25)26/h2-6,9H,7-8,10H2,1H3,(H,21,22)(H,24,25,26)