N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-N-(4-phenoxyphenyl)methanesulfonamide

Systemtic Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-N-(4-phenoxyphenyl)methanesulfonamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N-(4-phenoxyphenyl)methanesulfonamide CAS Name: N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-N-(4-phenoxyphenyl)methanesulfonamide IUPAC Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(4-phenoxyphenyl)methanesulfonamide Traditional Name: N-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-N-(4-phenoxyphenyl)methanesulfonamide Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CN(C2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CN(C2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C20H25N3O4S/c1-21-12-14-22(15-13-21)20(24)16-23(28(2,25)26)17-8-10-19(11-9-17)27-18-6-4-3-5-7-18/h3-11H,12-16H2,1-2H3/p+1