N-(4-ethoxyphenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-4-methylsulfanyl-benzenesulfonamide

Systemtic Name: N-(4-ethoxyphenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-4-methylsulfanyl-benzenesulfonamide Openeye Name: N-(4-ethoxyphenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-4-methylsulfanyl-benzenesulfonamide CAS Name: N-(4-ethoxyphenyl)-N-[2-(4-ethyl-1-piperazin-4-iumyl)-2-oxoethyl]-4-(methylthio)benzenesulfonamide IUPAC Name: N-(4-ethoxyphenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-methylsulfanylbenzenesulfonamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]-4-(methylthio)-N-p-phenetyl-benzenesulfonamide Formula: C23H32N3O4S2+ MolecularWeight: 478.64788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O4S2/c1-4-24-14-16-25(17-15-24)23(27)18-26(19-6-8-20(9-7-19)30-5-2)32(28,29)22-12-10-21(31-3)11-13-22/h6-13H,4-5,14-18H2,1-3H3/p+1