N-(3-bromophenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-(3-bromophenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-4-methyl-benzenesulfonamide Openeye Name: N-(3-bromophenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-4-methyl-benzenesulfonamide CAS Name: N-(3-bromophenyl)-N-[2-(4-ethyl-1-piperazin-4-iumyl)-2-oxoethyl]-4-methylbenzenesulfonamide IUPAC Name: N-(3-bromophenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-methylbenzenesulfonamide Traditional Name: N-(3-bromophenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]-4-methyl-benzenesulfonamide Formula: C21H27BrN3O3S+ MolecularWeight: 481.42638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26BrN3O3S/c1-3-23-11-13-24(14-12-23)21(26)16-25(19-6-4-5-18(22)15-19)29(27,28)20-9-7-17(2)8-10-20/h4-10,15H,3,11-14,16H2,1-2H3/p+1