N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)quinoline-8-sulfonamide

Systemtic Name: N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)quinoline-8-sulfonamide Openeye Name: N-[1-[(3-cyanophenyl)methyl]-4-piperidyl]-N-(3-pyridylmethyl)quinoline-8-sulfonamide CAS Name: N-[1-[(3-cyanophenyl)methyl]-4-piperidinyl]-N-(3-pyridinylmethyl)-8-quinolinesulfonamide IUPAC Name: N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)quinoline-8-sulfonamide Traditional Name: N-[1-(3-cyanobenzyl)-4-piperidyl]-N-(3-pyridylmethyl)quinoline-8-sulfonamide Formula: C28H27N5O2S MolecularWeight: 497.61128

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N(CC2=CN=CC=C2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)CC5=CC=CC(=C5)C#N

Isomeric SMILES

C1CN(CCC1N(CC2=CN=CC=C2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)CC5=CC=CC(=C5)C#N

InChI

InChI=1S/C28H27N5O2S/c29-18-22-5-1-6-23(17-22)20-32-15-11-26(12-16-32)33(21-24-7-3-13-30-19-24)36(34,35)27-10-2-8-25-9-4-14-31-28(25)27/h1-10,13-14,17,19,26H,11-12,15-16,20-21H2