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

Systemtic Name: [4-(4-chlorophenyl)-3-(2-methylsulfonylphenyl)pyrazol-1-yl]-methyl-oxidanyl-prop-2-ynoyl-azanium Openeye Name: [4-(4-chlorophenyl)-3-(2-methylsulfonylphenyl)pyrazol-1-yl]-hydroxy-methyl-prop-2-ynoyl-ammonium CAS Name: [4-(4-chlorophenyl)-3-(2-methylsulfonylphenyl)-1-pyrazolyl]-hydroxy-methyl-(1-oxoprop-2-ynyl)ammonium IUPAC Name: [4-(4-chlorophenyl)-3-(2-methylsulfonylphenyl)pyrazol-1-yl]-hydroxy-methyl-prop-2-ynoylazanium Traditional Name: [4-(4-chlorophenyl)-3-(2-mesylphenyl)pyrazol-1-yl]-hydroxy-methyl-propioloyl-ammonium Formula: C20H17ClN3O4S+ MolecularWeight: 430.88468

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C(=O)C#C)(N1C=C(C(=N1)C2=CC=CC=C2S(=O)(=O)C)C3=CC=C(C=C3)Cl)O

Isomeric SMILES

C[N+](C(=O)C#C)(N1C=C(C(=N1)C2=CC=CC=C2S(=O)(=O)C)C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C20H17ClN3O4S/c1-4-19(25)24(2,26)23-13-17(14-9-11-15(21)12-10-14)20(22-23)16-7-5-6-8-18(16)29(3,27)28/h1,5-13,26H,2-3H3/q+1