2-azanyl-4-fluoranyl-5-methyl-3-[1-(4-methylphenyl)-3-oxidanyl-propyl]sulfonyl-benzenesulfonic acid

Systemtic Name: 2-azanyl-4-fluoranyl-5-methyl-3-[1-(4-methylphenyl)-3-oxidanyl-propyl]sulfonyl-benzenesulfonic acid Openeye Name: 2-amino-4-fluoro-3-[3-hydroxy-1-(p-tolyl)propyl]sulfonyl-5-methyl-benzenesulfonic acid CAS Name: 2-amino-4-fluoro-3-[3-hydroxy-1-(4-methylphenyl)propyl]sulfonyl-5-methylbenzenesulfonic acid IUPAC Name: 2-amino-4-fluoro-3-[3-hydroxy-1-(4-methylphenyl)propyl]sulfonyl-5-methylbenzenesulfonic acid Traditional Name: 2-amino-4-fluoro-3-[3-hydroxy-1-(p-tolyl)propyl]sulfonyl-5-methyl-besylic acid Formula: C17H20FNO6S2 MolecularWeight: 417.472203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CCO)S(=O)(=O)C2=C(C(=CC(=C2N)S(=O)(=O)O)C)F

Isomeric SMILES

CC1=CC=C(C=C1)C(CCO)S(=O)(=O)C2=C(C(=CC(=C2N)S(=O)(=O)O)C)F

InChI

InChI=1S/C17H20FNO6S2/c1-10-3-5-12(6-4-10)13(7-8-20)26(21,22)17-15(18)11(2)9-14(16(17)19)27(23,24)25/h3-6,9,13,20H,7-8,19H2,1-2H3,(H,23,24,25)