(2-fluorophenyl)-[3-[[(2R)-1-piperidin-1-ium-1-ylpropan-2-yl]carbamoyl]phenyl]sulfonyl-azanide

Systemtic Name: (2-fluorophenyl)-[3-[[(2R)-1-piperidin-1-ium-1-ylpropan-2-yl]carbamoyl]phenyl]sulfonyl-azanide Openeye Name: (2-fluorophenyl)-[3-[[(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl]carbamoyl]phenyl]sulfonyl-azanide CAS Name: (2-fluorophenyl)-[3-[oxo-[[(2R)-1-(1-piperidin-1-iumyl)propan-2-yl]amino]methyl]phenyl]sulfonylazanide IUPAC Name: (2-fluorophenyl)-[3-[[(2R)-1-piperidin-1-ium-1-ylpropan-2-yl]carbamoyl]phenyl]sulfonylazanide Traditional Name: (2-fluorophenyl)-[3-[[(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl]carbamoyl]phenyl]sulfonyl-azanide Formula: C21H26FN3O3S MolecularWeight: 419.512843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCCC1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)[N-]C3=CC=CC=C3F

Isomeric SMILES

C[C@H](C[NH+]1CCCCC1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)[N-]C3=CC=CC=C3F

InChI

InChI=1S/C21H25FN3O3S/c1-16(15-25-12-5-2-6-13-25)23-21(26)17-8-7-9-18(14-17)29(27,28)24-20-11-4-3-10-19(20)22/h3-4,7-11,14,16H,2,5-6,12-13,15H2,1H3,(H,23,26)/q-1/p+1/t16-/m1/s1