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

Systemtic Name: methyl-[1-(2-methylsulfonylphenyl)-5-phenyl-pyrazol-3-yl]-oxidanyl-prop-2-ynoyl-azanium Openeye Name: hydroxy-methyl-[1-(2-methylsulfonylphenyl)-5-phenyl-pyrazol-3-yl]-prop-2-ynoyl-ammonium CAS Name: hydroxy-methyl-[1-(2-methylsulfonylphenyl)-5-phenyl-3-pyrazolyl]-(1-oxoprop-2-ynyl)ammonium IUPAC Name: hydroxy-methyl-[1-(2-methylsulfonylphenyl)-5-phenylpyrazol-3-yl]-prop-2-ynoylazanium Traditional Name: hydroxy-[1-(2-mesylphenyl)-5-phenyl-pyrazol-3-yl]-methyl-propioloyl-ammonium Formula: C20H18N3O4S+ MolecularWeight: 396.43962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N3O4S/c1-4-20(24)23(2,25)19-14-17(15-10-6-5-7-11-15)22(21-19)16-12-8-9-13-18(16)28(3,26)27/h1,5-14,25H,2-3H3/q+1