N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-quinolin-8-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-quinolin-8-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-(8-quinolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[3-[4-(2-fluorophenyl)-1-piperazinyl]propyl]-1-(8-quinolinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[3-[4-(2-fluorophenyl)piperazino]propyl]-1-(8-quinolylsulfonyl)isonipecotamide Formula: C28H34FN5O3S MolecularWeight: 539.664663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCCN2CCN(CC2)C3=CC=CC=C3F)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)NCCCN2CCN(CC2)C3=CC=CC=C3F)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C28H34FN5O3S/c29-24-8-1-2-9-25(24)33-20-18-32(19-21-33)15-5-14-31-28(35)23-11-16-34(17-12-23)38(36,37)26-10-3-6-22-7-4-13-30-27(22)26/h1-4,6-10,13,23H,5,11-12,14-21H2,(H,31,35)