2-[4-[2-(1-azanylisoquinolin-7-yl)-5-methyl-pyrazol-3-yl]carbonyl-2,3-dihydro-1,4-benzoxazin-7-yl]benzenesulfonamide

Systemtic Name: 2-[4-[2-(1-azanylisoquinolin-7-yl)-5-methyl-pyrazol-3-yl]carbonyl-2,3-dihydro-1,4-benzoxazin-7-yl]benzenesulfonamide Openeye Name: 2-[4-[2-(1-amino-7-isoquinolyl)-5-methyl-pyrazole-3-carbonyl]-2,3-dihydro-1,4-benzoxazin-7-yl]benzenesulfonamide CAS Name: 2-[4-[[2-(1-amino-7-isoquinolinyl)-5-methyl-3-pyrazolyl]-oxomethyl]-2,3-dihydro-1,4-benzoxazin-7-yl]benzenesulfonamide IUPAC Name: 2-[4-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carbonyl]-2,3-dihydro-1,4-benzoxazin-7-yl]benzenesulfonamide Traditional Name: 2-[4-[2-(1-amino-7-isoquinolyl)-5-methyl-pyrazole-3-carbonyl]-2,3-dihydro-1,4-benzoxazin-7-yl]benzenesulfonamide Formula: C28H24N6O4S MolecularWeight: 540.59296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)N2CCOC3=C2C=CC(=C3)C4=CC=CC=C4S(=O)(=O)N)C5=CC6=C(C=C5)C=CN=C6N

Isomeric SMILES

CC1=NN(C(=C1)C(=O)N2CCOC3=C2C=CC(=C3)C4=CC=CC=C4S(=O)(=O)N)C5=CC6=C(C=C5)C=CN=C6N

InChI

InChI=1S/C28H24N6O4S/c1-17-14-24(34(32-17)20-8-6-18-10-11-31-27(29)22(18)16-20)28(35)33-12-13-38-25-15-19(7-9-23(25)33)21-4-2-3-5-26(21)39(30,36)37/h2-11,14-16H,12-13H2,1H3,(H2,29,31)(H2,30,36,37)