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

Systemtic Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-N-(4-phenylmethoxyphenyl)methanesulfonamide Openeye Name: N-(4-benzyloxyphenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]methanesulfonamide CAS Name: N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-N-(4-phenylmethoxyphenyl)methanesulfonamide IUPAC Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(4-phenylmethoxyphenyl)methanesulfonamide Traditional Name: N-(4-benzoxyphenyl)-N-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]methanesulfonamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CN(C2=CC=C(C=C2)OCC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CN(C2=CC=C(C=C2)OCC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C21H27N3O4S/c1-22-12-14-23(15-13-22)21(25)16-24(29(2,26)27)19-8-10-20(11-9-19)28-17-18-6-4-3-5-7-18/h3-11H,12-17H2,1-2H3/p+1