methyl 4-phenyl-2-(phenylsulfonylamino)-2-(trifluoromethyl)but-3-ynoate

Systemtic Name: methyl 4-phenyl-2-(phenylsulfonylamino)-2-(trifluoromethyl)but-3-ynoate Openeye Name: methyl 2-(benzenesulfonamido)-4-phenyl-2-(trifluoromethyl)but-3-ynoate CAS Name: 2-(benzenesulfonamido)-4-phenyl-2-(trifluoromethyl)-3-butynoic acid methyl ester IUPAC Name: methyl 2-(benzenesulfonamido)-4-phenyl-2-(trifluoromethyl)but-3-ynoate Traditional Name: 2-(benzenesulfonamido)-4-phenyl-2-(trifluoromethyl)but-3-ynoic acid methyl ester Formula: C18H14F3NO4S MolecularWeight: 397.36827

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#CC1=CC=CC=C1)(C(F)(F)F)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C(C#CC1=CC=CC=C1)(C(F)(F)F)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H14F3NO4S/c1-26-16(23)17(18(19,20)21,13-12-14-8-4-2-5-9-14)22-27(24,25)15-10-6-3-7-11-15/h2-11,22H,1H3