[4-(aminocarbonyldiazenyl)-3-[(S)-methylsulfinyl]-5-methylsulfonyl-phenyl] (2S)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate

Systemtic Name: [4-(aminocarbonyldiazenyl)-3-[(S)-methylsulfinyl]-5-methylsulfonyl-phenyl] (2S)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate Openeye Name: [4-carbamoylazo-3-[(S)-methylsulfinyl]-5-methylsulfonyl-phenyl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoate CAS Name: (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid [4-carbamoylazo-3-[(S)-methylsulfinyl]-5-methylsulfonylphenyl] ester IUPAC Name: [4-(carbamoyldiazenyl)-3-[(S)-methylsulfinyl]-5-methylsulfonylphenyl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate Traditional Name: (2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propionic acid [4-carbamoylazo-3-mesyl-5-[(S)-methylsulfinyl]phenyl] ester Formula: C19H18F3N3O7S2 MolecularWeight: 521.48733

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC=CC=C1)(C(=O)OC2=CC(=C(C(=C2)S(=O)(=O)C)N=NC(=O)N)S(=O)C)C(F)(F)F

Isomeric SMILES

CO[C@@](C1=CC=CC=C1)(C(=O)OC2=CC(=C(C(=C2)S(=O)(=O)C)N=NC(=O)N)[S@@](=O)C)C(F)(F)F

InChI

InChI=1S/C19H18F3N3O7S2/c1-31-18(19(20,21)22,11-7-5-4-6-8-11)16(26)32-12-9-13(33(2)28)15(24-25-17(23)27)14(10-12)34(3,29)30/h4-10H,1-3H3,(H2,23,27)/t18-,33-/m0/s1