4-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]-N-phenethyl-benzenesulfonamide

Systemtic Name: 4-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]-N-phenethyl-benzenesulfonamide Openeye Name: 4-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxo-propyl]-N-phenethyl-benzenesulfonamide CAS Name: 4-[3-(4-ethyl-1-piperazin-4-iumyl)-3-oxopropyl]-N-phenethylbenzenesulfonamide IUPAC Name: 4-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-N-phenethylbenzenesulfonamide Traditional Name: 4-[3-(4-ethylpiperazin-4-ium-1-yl)-3-keto-propyl]-N-phenethyl-benzenesulfonamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O3S/c1-2-25-16-18-26(19-17-25)23(27)13-10-21-8-11-22(12-9-21)30(28,29)24-15-14-20-6-4-3-5-7-20/h3-9,11-12,24H,2,10,13-19H2,1H3/p+1