N-(4-bromophenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]methanesulfonamide

Systemtic Name: N-(4-bromophenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]methanesulfonamide Openeye Name: N-(4-bromophenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]methanesulfonamide CAS Name: N-(4-bromophenyl)-N-[2-(4-ethyl-1-piperazin-4-iumyl)-2-oxoethyl]methanesulfonamide IUPAC Name: N-(4-bromophenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide Traditional Name: N-(4-bromophenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]methanesulfonamide Formula: C15H23BrN3O3S+ MolecularWeight: 405.33042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22BrN3O3S/c1-3-17-8-10-18(11-9-17)15(20)12-19(23(2,21)22)14-6-4-13(16)5-7-14/h4-7H,3,8-12H2,1-2H3/p+1