trimethyl-[(2R)-2-[[5-[2-(4-methylphenyl)ethynyl]thiophen-2-yl]sulfonylamino]-4-oxidanyl-4-oxidanylidene-butyl]azanium

Systemtic Name: trimethyl-[(2R)-2-[[5-[2-(4-methylphenyl)ethynyl]thiophen-2-yl]sulfonylamino]-4-oxidanyl-4-oxidanylidene-butyl]azanium Openeye Name: [(2R)-4-hydroxy-4-oxo-2-[[5-[2-(p-tolyl)ethynyl]-2-thienyl]sulfonylamino]butyl]-trimethyl-ammonium CAS Name: [(2R)-4-hydroxy-2-[[5-[2-(4-methylphenyl)ethynyl]-2-thiophenyl]sulfonylamino]-4-oxobutyl]-trimethylammonium IUPAC Name: [(2R)-4-hydroxy-2-[[5-[2-(4-methylphenyl)ethynyl]thiophen-2-yl]sulfonylamino]-4-oxobutyl]-trimethylazanium Traditional Name: [(2R)-4-hydroxy-4-keto-2-[[5-[2-(p-tolyl)ethynyl]-2-thienyl]sulfonylamino]butyl]-trimethyl-ammonium Formula: C20H25N2O4S2+ MolecularWeight: 421.5535

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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