4-ethoxy-N-(4-fluorophenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]benzenesulfonamide

Systemtic Name: 4-ethoxy-N-(4-fluorophenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]benzenesulfonamide Openeye Name: 4-ethoxy-N-(4-fluorophenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]benzenesulfonamide CAS Name: 4-ethoxy-N-(4-fluorophenyl)-N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]benzenesulfonamide IUPAC Name: 4-ethoxy-N-(4-fluorophenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]benzenesulfonamide Traditional Name: 4-ethoxy-N-(4-fluorophenyl)-N-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]benzenesulfonamide Formula: C21H27FN3O4S+ MolecularWeight: 436.520183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CC[NH+](CC2)C)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CC[NH+](CC2)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN3O4S/c1-3-29-19-8-10-20(11-9-19)30(27,28)25(18-6-4-17(22)5-7-18)16-21(26)24-14-12-23(2)13-15-24/h4-11H,3,12-16H2,1-2H3/p+1