N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C24H30N5O5S+ MolecularWeight: 500.5905

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C24H29N5O5S/c1-18-23(24(31)29(26(18)2)19-7-5-4-6-8-19)25-22(30)17-27-13-15-28(16-14-27)35(32,33)21-11-9-20(34-3)10-12-21/h4-12H,13-17H2,1-3H3,(H,25,30)/p+1