2,5-bis(chloranyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-N-phenethyl-benzenesulfonamide

Systemtic Name: 2,5-bis(chloranyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-N-phenethyl-benzenesulfonamide Openeye Name: 2,5-dichloro-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N-phenethyl-benzenesulfonamide CAS Name: 2,5-dichloro-N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-N-phenethylbenzenesulfonamide IUPAC Name: 2,5-dichloro-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-phenethylbenzenesulfonamide Traditional Name: 2,5-dichloro-N-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-N-phenethyl-benzenesulfonamide Formula: C21H26Cl2N3O3S+ MolecularWeight: 471.42044

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CN(CCC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CN(CCC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C21H25Cl2N3O3S/c1-24-11-13-25(14-12-24)21(27)16-26(10-9-17-5-3-2-4-6-17)30(28,29)20-15-18(22)7-8-19(20)23/h2-8,15H,9-14,16H2,1H3/p+1