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

Systemtic Name: [5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]-methyl-oxidanyl-prop-2-ynoyl-azanium Openeye Name: [5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)oxazol-2-yl]-hydroxy-methyl-prop-2-ynoyl-ammonium CAS Name: [5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-2-oxazolyl]-hydroxy-methyl-(1-oxoprop-2-ynyl)ammonium IUPAC Name: [5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]-hydroxy-methyl-prop-2-ynoylazanium Traditional Name: [5-(4-chlorophenyl)-4-(4-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=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)C)(C(=O)C#C)O

Isomeric SMILES

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

InChI

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