2-[3-methoxypropanoyl-[2,2,2-tris(fluoranyl)ethanoyl]amino]-3-phenyl-benzenesulfonic acid

Systemtic Name: 2-[3-methoxypropanoyl-[2,2,2-tris(fluoranyl)ethanoyl]amino]-3-phenyl-benzenesulfonic acid Openeye Name: 2-[3-methoxypropanoyl-(2,2,2-trifluoroacetyl)amino]-3-phenyl-benzenesulfonic acid CAS Name: 2-[(3-methoxy-1-oxopropyl)-(2,2,2-trifluoro-1-oxoethyl)amino]-3-phenylbenzenesulfonic acid IUPAC Name: 2-[3-methoxypropanoyl-(2,2,2-trifluoroacetyl)amino]-3-phenylbenzenesulfonic acid Traditional Name: 2-[3-methoxypropanoyl-(2,2,2-trifluoroacetyl)amino]-3-phenyl-besylic acid Formula: C18H16F3NO6S MolecularWeight: 431.38295

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Descriptors Computed from Structure

Canonical SMILES:

COCCC(=O)N(C1=C(C=CC=C1S(=O)(=O)O)C2=CC=CC=C2)C(=O)C(F)(F)F

Isomeric SMILES

COCCC(=O)N(C1=C(C=CC=C1S(=O)(=O)O)C2=CC=CC=C2)C(=O)C(F)(F)F

InChI

InChI=1S/C18H16F3NO6S/c1-28-11-10-15(23)22(17(24)18(19,20)21)16-13(12-6-3-2-4-7-12)8-5-9-14(16)29(25,26)27/h2-9H,10-11H2,1H3,(H,25,26,27)