[2-[4-methoxybut-2-ynoyl-(phenylmethyl)amino]phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [2-[4-methoxybut-2-ynoyl-(phenylmethyl)amino]phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [2-[benzyl(4-methoxybut-2-ynoyl)amino]phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [2-[(4-methoxy-1-oxobut-2-ynyl)-(phenylmethyl)amino]phenyl] ester IUPAC Name: [2-[benzyl(4-methoxybut-2-ynoyl)amino]phenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [2-[benzyl(4-methoxybut-2-ynoyl)amino]phenyl] ester Formula: C19H16F3NO5S MolecularWeight: 427.39425

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Descriptors Computed from Structure

Canonical SMILES:

COCC#CC(=O)N(CC1=CC=CC=C1)C2=CC=CC=C2OS(=O)(=O)C(F)(F)F

Isomeric SMILES

COCC#CC(=O)N(CC1=CC=CC=C1)C2=CC=CC=C2OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C19H16F3NO5S/c1-27-13-7-12-18(24)23(14-15-8-3-2-4-9-15)16-10-5-6-11-17(16)28-29(25,26)19(20,21)22/h2-6,8-11H,13-14H2,1H3