3-[2-[1-[[2,5-bis(fluoranyl)phenyl]-(4-chlorophenyl)sulfonyl-amino]ethyl]-5-fluoranyl-phenyl]propane-1-sulfonic acid

Systemtic Name: 3-[2-[1-[[2,5-bis(fluoranyl)phenyl]-(4-chlorophenyl)sulfonyl-amino]ethyl]-5-fluoranyl-phenyl]propane-1-sulfonic acid Openeye Name: 3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoro-anilino)ethyl]-5-fluoro-phenyl]propane-1-sulfonic acid CAS Name: 3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-5-fluorophenyl]-1-propanesulfonic acid IUPAC Name: 3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-5-fluorophenyl]propane-1-sulfonic acid Traditional Name: 3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoro-anilino)ethyl]-5-fluoro-phenyl]propane-1-sulfonic acid Formula: C23H21ClF3NO5S2 MolecularWeight: 547.99475

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1)F)CCCS(=O)(=O)O)N(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C1=C(C=C(C=C1)F)CCCS(=O)(=O)O)N(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H21ClF3NO5S2/c1-15(21-10-6-18(25)13-16(21)3-2-12-34(29,30)31)28(23-14-19(26)7-11-22(23)27)35(32,33)20-8-4-17(24)5-9-20/h4-11,13-15H,2-3,12H2,1H3,(H,29,30,31)