N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]quinoline-8-sulfonamide

Systemtic Name: N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]quinoline-8-sulfonamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-2-(3-pyridyl)ethyl]quinoline-8-sulfonamide CAS Name: N-[2-[4-(phenylmethyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]-8-quinolinesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]quinoline-8-sulfonamide Traditional Name: N-[2-(4-benzylpiperazino)-2-(3-pyridyl)ethyl]quinoline-8-sulfonamide Formula: C27H29N5O2S MolecularWeight: 487.61646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C27H29N5O2S/c33-35(34,26-12-4-9-23-10-6-14-29-27(23)26)30-20-25(24-11-5-13-28-19-24)32-17-15-31(16-18-32)21-22-7-2-1-3-8-22/h1-14,19,25,30H,15-18,20-21H2