N-cyclohexyl-3-methyl-4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethoxy]benzenesulfonamide

Systemtic Name: N-cyclohexyl-3-methyl-4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethoxy]benzenesulfonamide Openeye Name: N-cyclohexyl-3-methyl-4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethoxy]benzenesulfonamide CAS Name: N-cyclohexyl-3-methyl-4-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethoxy]benzenesulfonamide IUPAC Name: N-cyclohexyl-3-methyl-4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethoxy]benzenesulfonamide Traditional Name: N-cyclohexyl-4-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethoxy]-3-methyl-benzenesulfonamide Formula: C20H32N3O4S+ MolecularWeight: 410.55078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NC2CCCCC2)OCC(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NC2CCCCC2)OCC(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C20H31N3O4S/c1-16-14-18(28(25,26)21-17-6-4-3-5-7-17)8-9-19(16)27-15-20(24)23-12-10-22(2)11-13-23/h8-9,14,17,21H,3-7,10-13,15H2,1-2H3/p+1