methyl-[4-(2-methylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-yl]-oxidanyl-prop-2-ynoyl-azanium

Systemtic Name: methyl-[4-(2-methylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-yl]-oxidanyl-prop-2-ynoyl-azanium Openeye Name: hydroxy-methyl-[4-(2-methylsulfonylphenyl)-5-phenyl-oxazol-2-yl]-prop-2-ynoyl-ammonium CAS Name: hydroxy-methyl-[4-(2-methylsulfonylphenyl)-5-phenyl-2-oxazolyl]-(1-oxoprop-2-ynyl)ammonium IUPAC Name: hydroxy-methyl-[4-(2-methylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-yl]-prop-2-ynoylazanium Traditional Name: hydroxy-[4-(2-mesylphenyl)-5-phenyl-oxazol-2-yl]-methyl-propioloyl-ammonium Formula: C20H17N2O5S+ MolecularWeight: 397.42438

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3S(=O)(=O)C)(C(=O)C#C)O

Isomeric SMILES

C[N+](C1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3S(=O)(=O)C)(C(=O)C#C)O

InChI

InChI=1S/C20H17N2O5S/c1-4-17(23)22(2,24)20-21-18(19(27-20)14-10-6-5-7-11-14)15-12-8-9-13-16(15)28(3,25)26/h1,5-13,24H,2-3H3/q+1