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

Systemtic Name: 5-ethyl-4-[[2-(2-methylpropoxy)-5-methylsulfonyl-phenyl]carbonylamino]-2-[(1-methylpyrrolidin-1-ium-1-yl)methyl]pyrazole-3-carboxamide Openeye Name: 5-ethyl-4-[(2-isobutoxy-5-methylsulfonyl-benzoyl)amino]-2-[(1-methylpyrrolidin-1-ium-1-yl)methyl]pyrazole-3-carboxamide CAS Name: 5-ethyl-4-[[[2-(2-methylpropoxy)-5-methylsulfonylphenyl]-oxomethyl]amino]-2-[(1-methyl-1-pyrrolidin-1-iumyl)methyl]-3-pyrazolecarboxamide IUPAC Name: 5-ethyl-4-[[2-(2-methylpropoxy)-5-methylsulfonylbenzoyl]amino]-2-[(1-methylpyrrolidin-1-ium-1-yl)methyl]pyrazole-3-carboxamide Traditional Name: 5-ethyl-4-[(2-isobutoxy-5-mesyl-benzoyl)amino]-2-[(1-methylpyrrolidin-1-ium-1-yl)methyl]pyrazole-3-carboxamide Formula: C24H36N5O5S+ MolecularWeight: 506.63814

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)OCC(C)C)C(=O)N)C[N+]3(CCCC3)C

Isomeric SMILES

CCC1=NN(C(=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)OCC(C)C)C(=O)N)C[N+]3(CCCC3)C

InChI

InChI=1S/C24H35N5O5S/c1-6-19-21(22(23(25)30)28(27-19)15-29(4)11-7-8-12-29)26-24(31)18-13-17(35(5,32)33)9-10-20(18)34-14-16(2)3/h9-10,13,16H,6-8,11-12,14-15H2,1-5H3,(H2-,25,26,30,31)/p+1