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

Systemtic Name: [5-(4-chlorophenyl)-1-(2-methylsulfonylphenyl)pyrazol-3-yl]-methyl-oxidanyl-prop-2-ynoyl-azanium Openeye Name: [5-(4-chlorophenyl)-1-(2-methylsulfonylphenyl)pyrazol-3-yl]-hydroxy-methyl-prop-2-ynoyl-ammonium CAS Name: [5-(4-chlorophenyl)-1-(2-methylsulfonylphenyl)-3-pyrazolyl]-hydroxy-methyl-(1-oxoprop-2-ynyl)ammonium IUPAC Name: [5-(4-chlorophenyl)-1-(2-methylsulfonylphenyl)pyrazol-3-yl]-hydroxy-methyl-prop-2-ynoylazanium Traditional Name: [5-(4-chlorophenyl)-1-(2-mesylphenyl)pyrazol-3-yl]-hydroxy-methyl-propioloyl-ammonium Formula: C20H17ClN3O4S+ MolecularWeight: 430.88468

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C1=NN(C(=C1)C2=CC=C(C=C2)Cl)C3=CC=CC=C3S(=O)(=O)C)(C(=O)C#C)O

Isomeric SMILES

C[N+](C1=NN(C(=C1)C2=CC=C(C=C2)Cl)C3=CC=CC=C3S(=O)(=O)C)(C(=O)C#C)O

InChI

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