N-[4-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]-N-[(4-fluorophenyl)methyl]methanesulfonamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]-N-[(4-fluorophenyl)methyl]methanesulfonamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]-N-[(4-fluorophenyl)methyl]methanesulfonamide CAS Name: N-[4-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]-N-[(4-fluorophenyl)methyl]methanesulfonamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]-N-[(4-fluorophenyl)methyl]methanesulfonamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]-N-(4-fluorobenzyl)methanesulfonamide Formula: C21H27FN3O3S+ MolecularWeight: 420.520783

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)N(CC3=CC=C(C=C3)F)S(=O)(=O)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)N(CC3=CC=C(C=C3)F)S(=O)(=O)C

InChI

InChI=1S/C21H26FN3O3S/c1-3-23-12-14-24(15-13-23)21(26)18-6-10-20(11-7-18)25(29(2,27)28)16-17-4-8-19(22)9-5-17/h4-11H,3,12-16H2,1-2H3/p+1