2-(4-fluoranylphenoxy)-2-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]propanamide

Systemtic Name: 2-(4-fluoranylphenoxy)-2-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]propanamide Openeye Name: 2-(4-fluorophenoxy)-2-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]propanamide CAS Name: 2-(4-fluorophenoxy)-2-methyl-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]propanamide IUPAC Name: 2-(4-fluorophenoxy)-2-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]propanamide Traditional Name: 2-(4-fluorophenoxy)-2-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]propionamide Formula: C21H27FN3O4S+ MolecularWeight: 436.520183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C)OC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C)OC3=CC=C(C=C3)F

InChI

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