N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-(4-fluoranylphenoxy)butanamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-(4-fluoranylphenoxy)butanamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-(4-fluorophenoxy)butanamide CAS Name: N-[4-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-4-(4-fluorophenoxy)butanamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-(4-fluorophenoxy)butanamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-(4-fluorophenoxy)butyramide Formula: C22H29FN3O4S+ MolecularWeight: 450.546763

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCOC3=CC=C(C=C3)F

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCOC3=CC=C(C=C3)F

InChI

InChI=1S/C22H28FN3O4S/c1-2-25-13-15-26(16-14-25)31(28,29)21-11-7-19(8-12-21)24-22(27)4-3-17-30-20-9-5-18(23)6-10-20/h5-12H,2-4,13-17H2,1H3,(H,24,27)/p+1