trimethyl-[(2R)-2-[[5-[2-(3-methylphenyl)ethynyl]thiophen-2-yl]sulfonylamino]-4-oxidanyl-4-oxidanylidene-butyl]azanium; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: trimethyl-[(2R)-2-[[5-[2-(3-methylphenyl)ethynyl]thiophen-2-yl]sulfonylamino]-4-oxidanyl-4-oxidanylidene-butyl]azanium; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: [(2R)-4-hydroxy-2-[[5-[2-(m-tolyl)ethynyl]-2-thienyl]sulfonylamino]-4-oxo-butyl]-trimethyl-ammonium; 2,2,2-trifluoroacetic acid CAS Name: [(2R)-4-hydroxy-2-[[5-[2-(3-methylphenyl)ethynyl]-2-thiophenyl]sulfonylamino]-4-oxobutyl]-trimethylammonium; 2,2,2-trifluoroacetic acid IUPAC Name: [(2R)-4-hydroxy-2-[[5-[2-(3-methylphenyl)ethynyl]thiophen-2-yl]sulfonylamino]-4-oxobutyl]-trimethylazanium; 2,2,2-trifluoroacetic acid Traditional Name: [(2R)-4-hydroxy-4-keto-2-[[5-[2-(m-tolyl)ethynyl]-2-thienyl]sulfonylamino]butyl]-trimethyl-ammonium; 2,2,2-trifluoroacetic acid Formula: C22H26F3N2O6S2+ MolecularWeight: 535.57685

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C#CC2=CC=C(S2)S(=O)(=O)NC(CC(=O)O)C[N+](C)(C)C.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC1=CC=CC(=C1)C#CC2=CC=C(S2)S(=O)(=O)N[C@H](CC(=O)O)C[N+](C)(C)C.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C20H24N2O4S2.C2HF3O2/c1-15-6-5-7-16(12-15)8-9-18-10-11-20(27-18)28(25,26)21-17(13-19(23)24)14-22(2,3)4;3-2(4,5)1(6)7/h5-7,10-12,17,21H,13-14H2,1-4H3;(H,6,7)/p+1/t17-;/m1./s1