N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(methylsulfonylmethyl)benzamide

Systemtic Name: N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(methylsulfonylmethyl)benzamide Openeye Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(methylsulfonylmethyl)benzamide CAS Name: N-[5-chloro-2-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-(methylsulfonylmethyl)benzamide IUPAC Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(methylsulfonylmethyl)benzamide Traditional Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(mesylmethyl)benzamide Formula: C20H25ClN3O3S+ MolecularWeight: 422.9488

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)CS(=O)(=O)C

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)CS(=O)(=O)C

InChI

InChI=1S/C20H24ClN3O3S/c1-23-9-11-24(12-10-23)19-8-7-17(21)13-18(19)22-20(25)16-5-3-15(4-6-16)14-28(2,26)27/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)/p+1