4-[[2-ethoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]carbonylamino]-2-methyl-5-propyl-pyrazole-3-carboxamide

Systemtic Name: 4-[[2-ethoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]carbonylamino]-2-methyl-5-propyl-pyrazole-3-carboxamide Openeye Name: 4-[[2-ethoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzoyl]amino]-2-methyl-5-propyl-pyrazole-3-carboxamide CAS Name: 4-[[[2-ethoxy-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-oxomethyl]amino]-2-methyl-5-propyl-3-pyrazolecarboxamide IUPAC Name: 4-[[2-ethoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoyl]amino]-2-methyl-5-propylpyrazole-3-carboxamide Traditional Name: 4-[[2-ethoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzoyl]amino]-2-methyl-5-propyl-pyrazole-3-carboxamide Formula: C22H33N6O5S+ MolecularWeight: 493.59962

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)C)OCC)C(=O)N)C

Isomeric SMILES

CCCC1=NN(C(=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)C)OCC)C(=O)N)C

InChI

InChI=1S/C22H32N6O5S/c1-5-7-17-19(20(21(23)29)27(4)25-17)24-22(30)16-14-15(8-9-18(16)33-6-2)34(31,32)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H2,23,29)(H,24,30)/p+1