3-[(3-fluoranyl-4-methyl-phenyl)sulfonylamino]-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: 3-[(3-fluoranyl-4-methyl-phenyl)sulfonylamino]-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 3-[(3-fluoro-4-methyl-phenyl)sulfonylamino]-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide CAS Name: 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]benzamide IUPAC Name: 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]benzamide Traditional Name: 3-[(3-fluoro-4-methyl-phenyl)sulfonylamino]-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Formula: C25H29FN3O4S+ MolecularWeight: 486.578863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NCC(C3=CC=CO3)[NH+]4CCCCC4)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NC[C@@H](C3=CC=CO3)[NH+]4CCCCC4)F

InChI

InChI=1S/C25H28FN3O4S/c1-18-10-11-21(16-22(18)26)34(31,32)28-20-8-5-7-19(15-20)25(30)27-17-23(24-9-6-14-33-24)29-12-3-2-4-13-29/h5-11,14-16,23,28H,2-4,12-13,17H2,1H3,(H,27,30)/p+1/t23-/m0/s1