N-[[(3S)-1-[(2-fluoranyl-5-methoxy-phenyl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide

Systemtic Name: N-[[(3S)-1-[(2-fluoranyl-5-methoxy-phenyl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide Openeye Name: N-[[(3S)-1-[(2-fluoro-5-methoxy-phenyl)methyl]-3-piperidyl]methyl]quinoline-8-sulfonamide CAS Name: N-[[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-piperidinyl]methyl]-8-quinolinesulfonamide IUPAC Name: N-[[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide Traditional Name: N-[[(3S)-1-(2-fluoro-5-methoxy-benzyl)-3-piperidyl]methyl]quinoline-8-sulfonamide Formula: C23H26FN3O3S MolecularWeight: 443.534243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)F)CN2CCCC(C2)CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)F)CN2CCC[C@@H](C2)CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C23H26FN3O3S/c1-30-20-9-10-21(24)19(13-20)16-27-12-4-5-17(15-27)14-26-31(28,29)22-8-2-6-18-7-3-11-25-23(18)22/h2-3,6-11,13,17,26H,4-5,12,14-16H2,1H3/t17-/m1/s1