2-[4-[3-(1-azanylisoquinolin-7-yl)propanoyl]-2,3-dihydro-1,4-benzoxazin-7-yl]benzenesulfonamide

Systemtic Name: 2-[4-[3-(1-azanylisoquinolin-7-yl)propanoyl]-2,3-dihydro-1,4-benzoxazin-7-yl]benzenesulfonamide Openeye Name: 2-[4-[3-(1-amino-7-isoquinolyl)propanoyl]-2,3-dihydro-1,4-benzoxazin-7-yl]benzenesulfonamide CAS Name: 2-[4-[3-(1-amino-7-isoquinolinyl)-1-oxopropyl]-2,3-dihydro-1,4-benzoxazin-7-yl]benzenesulfonamide IUPAC Name: 2-[4-[3-(1-aminoisoquinolin-7-yl)propanoyl]-2,3-dihydro-1,4-benzoxazin-7-yl]benzenesulfonamide Traditional Name: 2-[4-[3-(1-amino-7-isoquinolyl)propanoyl]-2,3-dihydro-1,4-benzoxazin-7-yl]benzenesulfonamide Formula: C26H24N4O4S MolecularWeight: 488.55816

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(N1C(=O)CCC3=CC4=C(C=C3)C=CN=C4N)C=CC(=C2)C5=CC=CC=C5S(=O)(=O)N

Isomeric SMILES

C1COC2=C(N1C(=O)CCC3=CC4=C(C=C3)C=CN=C4N)C=CC(=C2)C5=CC=CC=C5S(=O)(=O)N

InChI

InChI=1S/C26H24N4O4S/c27-26-21-15-17(5-7-18(21)11-12-29-26)6-10-25(31)30-13-14-34-23-16-19(8-9-22(23)30)20-3-1-2-4-24(20)35(28,32)33/h1-5,7-9,11-12,15-16H,6,10,13-14H2,(H2,27,29)(H2,28,32,33)