(2R)-1-(4-fluorophenyl)sulfonyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]pyrrolidine-2-carboxamide

Systemtic Name: (2R)-1-(4-fluorophenyl)sulfonyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]pyrrolidine-2-carboxamide Openeye Name: (2R)-1-(4-fluorophenyl)sulfonyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]pyrrolidine-2-carboxamide CAS Name: (2R)-1-(4-fluorophenyl)sulfonyl-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-2-pyrrolidinecarboxamide IUPAC Name: (2R)-1-(4-fluorophenyl)sulfonyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]pyrrolidine-2-carboxamide Traditional Name: (2R)-1-(4-fluorophenyl)sulfonyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]pyrrolidine-2-carboxamide Formula: C21H27FN5O3S+ MolecularWeight: 448.534183

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)[C@H]3CCCN3S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H26FN5O3S/c1-25-11-13-26(14-12-25)20-9-6-17(15-23-20)24-21(28)19-3-2-10-27(19)31(29,30)18-7-4-16(22)5-8-18/h4-9,15,19H,2-3,10-14H2,1H3,(H,24,28)/p+1/t19-/m1/s1