N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(4-ethylpiperazin-4-ium-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(4-ethylpiperazin-4-ium-1-yl)carbonyl-benzenesulfonamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(4-ethylpiperazin-4-ium-1-carbonyl)benzenesulfonamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]benzenesulfonamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-ethylpiperazin-4-ium-1-carbonyl)benzenesulfonamide Traditional Name: 3-(4-ethylpiperazin-4-ium-1-carbonyl)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)benzenesulfonamide Formula: C24H30N5O4S+ MolecularWeight: 484.5911

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C24H29N5O4S/c1-4-27-13-15-28(16-14-27)23(30)19-9-8-12-21(17-19)34(32,33)25-22-18(2)26(3)29(24(22)31)20-10-6-5-7-11-20/h5-12,17,25H,4,13-16H2,1-3H3/p+1