N-[3-[(1-chloranylisoquinolin-3-yl)amino]propyl]methanesulfonamide

Systemtic Name: N-[3-[(1-chloranylisoquinolin-3-yl)amino]propyl]methanesulfonamide Openeye Name: N-[3-[(1-chloro-3-isoquinolyl)amino]propyl]methanesulfonamide CAS Name: N-[3-[(1-chloro-3-isoquinolinyl)amino]propyl]methanesulfonamide IUPAC Name: N-[3-[(1-chloroisoquinolin-3-yl)amino]propyl]methanesulfonamide Traditional Name: N-[3-[(1-chloro-3-isoquinolyl)amino]propyl]methanesulfonamide Formula: C13H16ClN3O2S MolecularWeight: 313.80304

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCCCNC1=CC2=CC=CC=C2C(=N1)Cl

Isomeric SMILES

CS(=O)(=O)NCCCNC1=CC2=CC=CC=C2C(=N1)Cl

InChI

InChI=1S/C13H16ClN3O2S/c1-20(18,19)16-8-4-7-15-12-9-10-5-2-3-6-11(10)13(14)17-12/h2-3,5-6,9,16H,4,7-8H2,1H3,(H,15,17)