3-chloranyl-4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethoxy]-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: 3-chloranyl-4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethoxy]-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-3-chloro-4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethoxy]benzenesulfonamide CAS Name: 3-chloro-4-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethoxy]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-3-chloro-4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethoxy]benzenesulfonamide Traditional Name: N-benzyl-3-chloro-4-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethoxy]benzenesulfonamide Formula: C20H25ClN3O4S+ MolecularWeight: 438.9482

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H24ClN3O4S/c1-23-9-11-24(12-10-23)20(25)15-28-19-8-7-17(13-18(19)21)29(26,27)22-14-16-5-3-2-4-6-16/h2-8,13,22H,9-12,14-15H2,1H3/p+1