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

Systemtic Name: 5-ethyl-2-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-4-[(5-methylsulfonyl-2-propoxy-phenyl)carbonylamino]pyrazole-3-carboxamide Openeye Name: 5-ethyl-2-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-4-[(5-methylsulfonyl-2-propoxy-benzoyl)amino]pyrazole-3-carboxamide CAS Name: 5-ethyl-2-[(1-methyl-1-pyrrolidin-1-iumyl)methyl]-4-[[(5-methylsulfonyl-2-propoxyphenyl)-oxomethyl]amino]-3-pyrazolecarboxamide IUPAC Name: 5-ethyl-2-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-4-[(5-methylsulfonyl-2-propoxybenzoyl)amino]pyrazole-3-carboxamide Traditional Name: 5-ethyl-4-[(5-mesyl-2-propoxy-benzoyl)amino]-2-[(1-methylpyrrolidin-1-ium-1-yl)methyl]pyrazole-3-carboxamide Formula: C23H34N5O5S+ MolecularWeight: 492.61156

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NC2=C(N(N=C2CC)C[N+]3(CCCC3)C)C(=O)N

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NC2=C(N(N=C2CC)C[N+]3(CCCC3)C)C(=O)N

InChI

InChI=1S/C23H33N5O5S/c1-5-13-33-19-10-9-16(34(4,31)32)14-17(19)23(30)25-20-18(6-2)26-27(21(20)22(24)29)15-28(3)11-7-8-12-28/h9-10,14H,5-8,11-13,15H2,1-4H3,(H2-,24,25,29,30)/p+1