N-(3-chloranyl-4-methoxy-phenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]benzenesulfonamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]benzenesulfonamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]benzenesulfonamide CAS Name: N-(3-chloro-4-methoxyphenyl)-N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]benzenesulfonamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]benzenesulfonamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-N-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]benzenesulfonamide Formula: C20H25ClN3O4S+ MolecularWeight: 438.9482

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CN(C2=CC(=C(C=C2)OC)Cl)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CN(C2=CC(=C(C=C2)OC)Cl)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H24ClN3O4S/c1-22-10-12-23(13-11-22)20(25)15-24(16-8-9-19(28-2)18(21)14-16)29(26,27)17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3/p+1