N-(2-azanylethyl)-N-(5-isoquinolin-6-ylpyridin-3-yl)quinoline-5-sulfonamide

Systemtic Name: N-(2-azanylethyl)-N-(5-isoquinolin-6-ylpyridin-3-yl)quinoline-5-sulfonamide Openeye Name: N-(2-aminoethyl)-N-[5-(6-isoquinolyl)-3-pyridyl]quinoline-5-sulfonamide CAS Name: N-(2-aminoethyl)-N-[5-(6-isoquinolinyl)-3-pyridinyl]-5-quinolinesulfonamide IUPAC Name: N-(2-aminoethyl)-N-(5-isoquinolin-6-ylpyridin-3-yl)quinoline-5-sulfonamide Traditional Name: N-(2-aminoethyl)-N-[5-(6-isoquinolyl)-3-pyridyl]quinoline-5-sulfonamide Formula: C25H21N5O2S MolecularWeight: 455.53154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC=N2)C(=C1)S(=O)(=O)N(CCN)C3=CN=CC(=C3)C4=CC5=C(C=C4)C=NC=C5

Isomeric SMILES

C1=CC2=C(C=CC=N2)C(=C1)S(=O)(=O)N(CCN)C3=CN=CC(=C3)C4=CC5=C(C=C4)C=NC=C5

InChI

InChI=1S/C25H21N5O2S/c26-9-12-30(33(31,32)25-5-1-4-24-23(25)3-2-10-29-24)22-14-21(16-28-17-22)18-6-7-20-15-27-11-8-19(20)13-18/h1-8,10-11,13-17H,9,12,26H2