[2-azanylidene-2-[1-(phenylsulfonyl)pyrrol-3-yl]ethyl] 4-(trifluoromethyl)benzoate

Systemtic Name: [2-azanylidene-2-[1-(phenylsulfonyl)pyrrol-3-yl]ethyl] 4-(trifluoromethyl)benzoate Openeye Name: [2-[1-(benzenesulfonyl)pyrrol-3-yl]-2-imino-ethyl] 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid [2-[1-(benzenesulfonyl)-3-pyrrolyl]-2-iminoethyl] ester IUPAC Name: [2-[1-(benzenesulfonyl)pyrrol-3-yl]-2-iminoethyl] 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid [2-(1-besylpyrrol-3-yl)-2-imino-ethyl] ester Formula: C20H15F3N2O4S MolecularWeight: 436.40431

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)C(=N)COC(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)C(=N)COC(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H15F3N2O4S/c21-20(22,23)16-8-6-14(7-9-16)19(26)29-13-18(24)15-10-11-25(12-15)30(27,28)17-4-2-1-3-5-17/h1-12,24H,13H2