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

Systemtic Name: [4-(4-chlorophenyl)-5-(2-methylsulfonylphenyl)-1,3-oxazol-2-yl]-methyl-oxidanyl-prop-2-ynoyl-azanium Openeye Name: [4-(4-chlorophenyl)-5-(2-methylsulfonylphenyl)oxazol-2-yl]-hydroxy-methyl-prop-2-ynoyl-ammonium CAS Name: [4-(4-chlorophenyl)-5-(2-methylsulfonylphenyl)-2-oxazolyl]-hydroxy-methyl-(1-oxoprop-2-ynyl)ammonium IUPAC Name: [4-(4-chlorophenyl)-5-(2-methylsulfonylphenyl)-1,3-oxazol-2-yl]-hydroxy-methyl-prop-2-ynoylazanium Traditional Name: [4-(4-chlorophenyl)-5-(2-mesylphenyl)oxazol-2-yl]-hydroxy-methyl-propioloyl-ammonium Formula: C20H16ClN2O5S+ MolecularWeight: 431.86944

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C1=NC(=C(O1)C2=CC=CC=C2S(=O)(=O)C)C3=CC=C(C=C3)Cl)(C(=O)C#C)O

Isomeric SMILES

C[N+](C1=NC(=C(O1)C2=CC=CC=C2S(=O)(=O)C)C3=CC=C(C=C3)Cl)(C(=O)C#C)O

InChI

InChI=1S/C20H16ClN2O5S/c1-4-17(24)23(2,25)20-22-18(13-9-11-14(21)12-10-13)19(28-20)15-7-5-6-8-16(15)29(3,26)27/h1,5-12,25H,2-3H3/q+1