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

Systemtic Name: N-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-4-methyl-benzenesulfonamide Openeye Name: N-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-4-methyl-benzenesulfonamide CAS Name: N-(4-chlorophenyl)-N-[2-(4-ethyl-1-piperazin-4-iumyl)-2-oxoethyl]-4-methylbenzenesulfonamide IUPAC Name: N-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-methylbenzenesulfonamide Traditional Name: N-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]-4-methyl-benzenesulfonamide Formula: C21H27ClN3O3S+ MolecularWeight: 436.97538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O3S/c1-3-23-12-14-24(15-13-23)21(26)16-25(19-8-6-18(22)7-9-19)29(27,28)20-10-4-17(2)5-11-20/h4-11H,3,12-16H2,1-2H3/p+1