3-ethyl-1-[(1-methylimidazol-2-yl)methyl]-4-[[2-(2-methylpropoxy)-5-methylsulfonyl-phenyl]carbonylamino]pyrazol-1-ium-1-carboxamide

Systemtic Name: 3-ethyl-1-[(1-methylimidazol-2-yl)methyl]-4-[[2-(2-methylpropoxy)-5-methylsulfonyl-phenyl]carbonylamino]pyrazol-1-ium-1-carboxamide Openeye Name: 3-ethyl-4-[(2-isobutoxy-5-methylsulfonyl-benzoyl)amino]-1-[(1-methylimidazol-2-yl)methyl]pyrazol-1-ium-1-carboxamide CAS Name: 3-ethyl-1-[(1-methyl-2-imidazolyl)methyl]-4-[[[2-(2-methylpropoxy)-5-methylsulfonylphenyl]-oxomethyl]amino]-1-pyrazol-1-iumcarboxamide IUPAC Name: 3-ethyl-1-[(1-methylimidazol-2-yl)methyl]-4-[[2-(2-methylpropoxy)-5-methylsulfonylbenzoyl]amino]pyrazol-1-ium-1-carboxamide Traditional Name: 3-ethyl-4-[(2-isobutoxy-5-mesyl-benzoyl)amino]-1-[(1-methylimidazol-2-yl)methyl]pyrazol-1-ium-1-carboxamide Formula: C23H31N6O5S+ MolecularWeight: 503.59444

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=N[N+](C=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)OCC(C)C)(CC3=NC=CN3C)C(=O)N

Isomeric SMILES

CCC1=N[N+](C=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)OCC(C)C)(CC3=NC=CN3C)C(=O)N

InChI

InChI=1S/C23H30N6O5S/c1-6-18-19(12-29(27-18,23(24)31)13-21-25-9-10-28(21)4)26-22(30)17-11-16(35(5,32)33)7-8-20(17)34-14-15(2)3/h7-12,15H,6,13-14H2,1-5H3,(H2-,24,26,30,31)/p+1