2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)ethanamide

Systemtic Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)ethanamide Openeye Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-diisopropyl-acetamide CAS Name: 2-[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N,N-di(propan-2-yl)acetamide IUPAC Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)acetamide Traditional Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-diisopropyl-acetamide Formula: C18H29FN3O3S+ MolecularWeight: 386.504563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28FN3O3S/c1-14(2)22(15(3)4)18(23)13-20-8-10-21(11-9-20)26(24,25)17-7-5-6-16(19)12-17/h5-7,12,14-15H,8-11,13H2,1-4H3/p+1