tert-butyl 1-[4-[(5-fluoranyl-2-methyl-phenyl)sulfonylamino]naphthalen-1-yl]-1-oxidanyl-piperidin-1-ium-4-carboxylate

Systemtic Name: tert-butyl 1-[4-[(5-fluoranyl-2-methyl-phenyl)sulfonylamino]naphthalen-1-yl]-1-oxidanyl-piperidin-1-ium-4-carboxylate Openeye Name: tert-butyl 1-[4-[(5-fluoro-2-methyl-phenyl)sulfonylamino]-1-naphthyl]-1-hydroxy-piperidin-1-ium-4-carboxylate CAS Name: 1-[4-[(5-fluoro-2-methylphenyl)sulfonylamino]-1-naphthalenyl]-1-hydroxy-4-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[4-[(5-fluoro-2-methylphenyl)sulfonylamino]naphthalen-1-yl]-1-hydroxypiperidin-1-ium-4-carboxylate Traditional Name: 1-[4-[(5-fluoro-2-methyl-phenyl)sulfonylamino]-1-naphthyl]-1-hydroxy-piperidin-1-ium-4-carboxylic acid tert-butyl ester Formula: C27H32FN2O5S+ MolecularWeight: 515.616783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)S(=O)(=O)NC2=CC=C(C3=CC=CC=C32)[N+]4(CCC(CC4)C(=O)OC(C)(C)C)O

Isomeric SMILES

CC1=C(C=C(C=C1)F)S(=O)(=O)NC2=CC=C(C3=CC=CC=C32)[N+]4(CCC(CC4)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C27H32FN2O5S/c1-18-9-10-20(28)17-25(18)36(33,34)29-23-11-12-24(22-8-6-5-7-21(22)23)30(32)15-13-19(14-16-30)26(31)35-27(2,3)4/h5-12,17,19,29,32H,13-16H2,1-4H3/q+1