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

Systemtic Name: 2-[4-[3-(1-azanylisoquinolin-7-yl)oxypropanoyl]-2,3-dihydro-1,4-benzoxazin-7-yl]benzenesulfonamide Openeye Name: 2-[4-[3-[(1-amino-7-isoquinolyl)oxy]propanoyl]-2,3-dihydro-1,4-benzoxazin-7-yl]benzenesulfonamide CAS Name: 2-[4-[3-[(1-amino-7-isoquinolinyl)oxy]-1-oxopropyl]-2,3-dihydro-1,4-benzoxazin-7-yl]benzenesulfonamide IUPAC Name: 2-[4-[3-(1-aminoisoquinolin-7-yl)oxypropanoyl]-2,3-dihydro-1,4-benzoxazin-7-yl]benzenesulfonamide Traditional Name: 2-[4-[3-[(1-amino-7-isoquinolyl)oxy]propanoyl]-2,3-dihydro-1,4-benzoxazin-7-yl]benzenesulfonamide Formula: C26H24N4O5S MolecularWeight: 504.55756

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(N1C(=O)CCOC3=CC4=C(C=C3)C=CN=C4N)C=CC(=C2)C5=CC=CC=C5S(=O)(=O)N

Isomeric SMILES

C1COC2=C(N1C(=O)CCOC3=CC4=C(C=C3)C=CN=C4N)C=CC(=C2)C5=CC=CC=C5S(=O)(=O)N

InChI

InChI=1S/C26H24N4O5S/c27-26-21-16-19(7-5-17(21)9-11-29-26)34-13-10-25(31)30-12-14-35-23-15-18(6-8-22(23)30)20-3-1-2-4-24(20)36(28,32)33/h1-9,11,15-16H,10,12-14H2,(H2,27,29)(H2,28,32,33)