N-(2,5-dimethylphenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]benzenesulfonamide

Systemtic Name: N-(2,5-dimethylphenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]benzenesulfonamide Openeye Name: N-(2,5-dimethylphenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]benzenesulfonamide CAS Name: N-(2,5-dimethylphenyl)-N-[2-(4-ethyl-1-piperazin-4-iumyl)-2-oxoethyl]benzenesulfonamide IUPAC Name: N-(2,5-dimethylphenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]benzenesulfonamide Traditional Name: N-(2,5-dimethylphenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]benzenesulfonamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-4-23-12-14-24(15-13-23)22(26)17-25(21-16-18(2)10-11-19(21)3)29(27,28)20-8-6-5-7-9-20/h5-11,16H,4,12-15,17H2,1-3H3/p+1