[2-ethyl-4-(2-methoxyethylamino)-4-methylsulfonyl-3-oxidanyl-3H-pyrazol-2-ium-2-yl]-[3-(methylsulfonylmethyl)phenyl]methanone

Systemtic Name: [2-ethyl-4-(2-methoxyethylamino)-4-methylsulfonyl-3-oxidanyl-3H-pyrazol-2-ium-2-yl]-[3-(methylsulfonylmethyl)phenyl]methanone Openeye Name: [2-ethyl-3-hydroxy-4-(2-methoxyethylamino)-4-methylsulfonyl-3H-pyrazol-2-ium-2-yl]-[3-(methylsulfonylmethyl)phenyl]methanone CAS Name: [2-ethyl-3-hydroxy-4-(2-methoxyethylamino)-4-methylsulfonyl-3H-pyrazol-2-ium-2-yl]-[3-(methylsulfonylmethyl)phenyl]methanone IUPAC Name: [2-ethyl-3-hydroxy-4-(2-methoxyethylamino)-4-methylsulfonyl-3H-pyrazol-2-ium-2-yl]-[3-(methylsulfonylmethyl)phenyl]methanone Traditional Name: [1-ethyl-5-hydroxy-4-mesyl-4-(2-methoxyethylamino)-2-pyrazolin-1-ium-1-yl]-[3-(mesylmethyl)phenyl]methanone Formula: C18H28N3O7S2+ MolecularWeight: 462.56082

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(C(C=N1)(NCCOC)S(=O)(=O)C)O)C(=O)C2=CC(=CC=C2)CS(=O)(=O)C

Isomeric SMILES

CC[N+]1(C(C(C=N1)(NCCOC)S(=O)(=O)C)O)C(=O)C2=CC(=CC=C2)CS(=O)(=O)C

InChI

InChI=1S/C18H28N3O7S2/c1-5-21(16(22)15-8-6-7-14(11-15)12-29(3,24)25)17(23)18(13-20-21,30(4,26)27)19-9-10-28-2/h6-8,11,13,17,19,23H,5,9-10,12H2,1-4H3/q+1