N-[3,4-bis(fluoranyl)phenyl]-2-[(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]ethanamide

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-2-[(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]ethanamide Openeye Name: N-(3,4-difluorophenyl)-2-[(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide CAS Name: N-(3,4-difluorophenyl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumyl]amino]acetamide IUPAC Name: N-(3,4-difluorophenyl)-2-[(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide Traditional Name: N-(3,4-difluorophenyl)-2-[(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)amino]acetamide Formula: C17H19F2N4O3S+ MolecularWeight: 397.419566

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCC(=O)NC3=CC(=C(C=C3)F)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCC(=O)NC3=CC(=C(C=C3)F)F

InChI

InChI=1S/C17H18F2N4O3S/c18-14-5-3-12(9-15(14)19)22-17(24)11-21-16-6-4-13(10-20-16)27(25,26)23-7-1-2-8-23/h3-6,9-10H,1-2,7-8,11H2,(H,20,21)(H,22,24)/p+1