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

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-2-[(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]ethanamide Openeye Name: N-(3,4-difluorophenyl)-2-[[5-(1-piperidylsulfonyl)pyridin-1-ium-2-yl]amino]acetamide CAS Name: N-(3,4-difluorophenyl)-2-[[5-(1-piperidinylsulfonyl)-2-pyridin-1-iumyl]amino]acetamide IUPAC Name: N-(3,4-difluorophenyl)-2-[(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide Traditional Name: N-(3,4-difluorophenyl)-2-[(5-piperidinosulfonylpyridin-1-ium-2-yl)amino]acetamide Formula: C18H21F2N4O3S+ MolecularWeight: 411.446146

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCC(=O)NC3=CC(=C(C=C3)F)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCC(=O)NC3=CC(=C(C=C3)F)F

InChI

InChI=1S/C18H20F2N4O3S/c19-15-6-4-13(10-16(15)20)23-18(25)12-22-17-7-5-14(11-21-17)28(26,27)24-8-2-1-3-9-24/h4-7,10-11H,1-3,8-9,12H2,(H,21,22)(H,23,25)/p+1