2-[4-[(E)-3-(1-azanylisoquinolin-7-yl)-2-methyl-prop-2-enoyl]-2,3-dihydro-1,4-benzoxazin-7-yl]benzenesulfonamide

Systemtic Name: 2-[4-[(E)-3-(1-azanylisoquinolin-7-yl)-2-methyl-prop-2-enoyl]-2,3-dihydro-1,4-benzoxazin-7-yl]benzenesulfonamide Openeye Name: 2-[4-[(E)-3-(1-amino-7-isoquinolyl)-2-methyl-prop-2-enoyl]-2,3-dihydro-1,4-benzoxazin-7-yl]benzenesulfonamide CAS Name: 2-[4-[(E)-3-(1-amino-7-isoquinolinyl)-2-methyl-1-oxoprop-2-enyl]-2,3-dihydro-1,4-benzoxazin-7-yl]benzenesulfonamide IUPAC Name: 2-[4-[(E)-3-(1-aminoisoquinolin-7-yl)-2-methylprop-2-enoyl]-2,3-dihydro-1,4-benzoxazin-7-yl]benzenesulfonamide Traditional Name: 2-[4-[(E)-3-(1-amino-7-isoquinolyl)-2-methyl-acryloyl]-2,3-dihydro-1,4-benzoxazin-7-yl]benzenesulfonamide Formula: C27H24N4O4S MolecularWeight: 500.56886

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC2=C(C=C1)C=CN=C2N)C(=O)N3CCOC4=C3C=CC(=C4)C5=CC=CC=C5S(=O)(=O)N

Isomeric SMILES

C/C(=C\C1=CC2=C(C=C1)C=CN=C2N)/C(=O)N3CCOC4=C3C=CC(=C4)C5=CC=CC=C5S(=O)(=O)N

InChI

InChI=1S/C27H24N4O4S/c1-17(14-18-6-7-19-10-11-30-26(28)22(19)15-18)27(32)31-12-13-35-24-16-20(8-9-23(24)31)21-4-2-3-5-25(21)36(29,33)34/h2-11,14-16H,12-13H2,1H3,(H2,28,30)(H2,29,33,34)/b17-14+