4-chloranyl-N-[5-methyl-1-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]pyrazol-3-yl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[5-methyl-1-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]pyrazol-3-yl]benzenesulfonamide Openeye Name: 4-chloro-N-[5-methyl-1-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]pyrazol-3-yl]benzenesulfonamide CAS Name: 4-chloro-N-[5-methyl-1-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-3-pyrazolyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[5-methyl-1-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]pyrazol-3-yl]benzenesulfonamide Traditional Name: 4-chloro-N-[1-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-5-methyl-pyrazol-3-yl]benzenesulfonamide Formula: C17H23ClN5O3S+ MolecularWeight: 412.91422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=O)N2CC[NH+](CC2)C)NS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=NN1CC(=O)N2CC[NH+](CC2)C)NS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H22ClN5O3S/c1-13-11-16(20-27(25,26)15-5-3-14(18)4-6-15)19-23(13)12-17(24)22-9-7-21(2)8-10-22/h3-6,11H,7-10,12H2,1-2H3,(H,19,20)/p+1