[(3R)-1-ethylpiperidin-1-ium-3-yl] 2-[(4-fluoranyl-2-methyl-phenyl)sulfonylamino]benzoate

Systemtic Name: [(3R)-1-ethylpiperidin-1-ium-3-yl] 2-[(4-fluoranyl-2-methyl-phenyl)sulfonylamino]benzoate Openeye Name: [(3R)-1-ethylpiperidin-1-ium-3-yl] 2-[(4-fluoro-2-methyl-phenyl)sulfonylamino]benzoate CAS Name: 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid [(3R)-1-ethyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3R)-1-ethylpiperidin-1-ium-3-yl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate Traditional Name: 2-[(4-fluoro-2-methyl-phenyl)sulfonylamino]benzoic acid [(3R)-1-ethylpiperidin-1-ium-3-yl] ester Formula: C21H26FN2O4S+ MolecularWeight: 421.505543

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC(C1)OC(=O)C2=CC=CC=C2NS(=O)(=O)C3=C(C=C(C=C3)F)C

Isomeric SMILES

CC[NH+]1CCC[C@H](C1)OC(=O)C2=CC=CC=C2NS(=O)(=O)C3=C(C=C(C=C3)F)C

InChI

InChI=1S/C21H25FN2O4S/c1-3-24-12-6-7-17(14-24)28-21(25)18-8-4-5-9-19(18)23-29(26,27)20-11-10-16(22)13-15(20)2/h4-5,8-11,13,17,23H,3,6-7,12,14H2,1-2H3/p+1/t17-/m1/s1