4-[2-[(8-nitroisoquinolin-5-yl)amino]ethyl]benzenesulfonamide

Systemtic Name: 4-[2-[(8-nitroisoquinolin-5-yl)amino]ethyl]benzenesulfonamide Openeye Name: 4-[2-[(8-nitro-5-isoquinolyl)amino]ethyl]benzenesulfonamide CAS Name: 4-[2-[(8-nitro-5-isoquinolinyl)amino]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[(8-nitroisoquinolin-5-yl)amino]ethyl]benzenesulfonamide Traditional Name: 4-[2-[(8-nitro-5-isoquinolyl)amino]ethyl]benzenesulfonamide Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CCNC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C17H16N4O4S/c18-26(24,25)13-3-1-12(2-4-13)7-10-20-16-5-6-17(21(22)23)15-11-19-9-8-14(15)16/h1-6,8-9,11,20H,7,10H2,(H2,18,24,25)