(E)-3-(1-azanylisoquinolin-7-yl)-N-[4-(2-sulfamoylphenyl)-2,3-dihydroindol-1-yl]prop-2-enamide

Systemtic Name: (E)-3-(1-azanylisoquinolin-7-yl)-N-[4-(2-sulfamoylphenyl)-2,3-dihydroindol-1-yl]prop-2-enamide Openeye Name: (E)-3-(1-amino-7-isoquinolyl)-N-[4-(2-sulfamoylphenyl)indolin-1-yl]prop-2-enamide CAS Name: (E)-3-(1-amino-7-isoquinolinyl)-N-[4-(2-sulfamoylphenyl)-2,3-dihydroindol-1-yl]-2-propenamide IUPAC Name: (E)-3-(1-aminoisoquinolin-7-yl)-N-[4-(2-sulfamoylphenyl)-2,3-dihydroindol-1-yl]prop-2-enamide Traditional Name: (E)-3-(1-amino-7-isoquinolyl)-N-[4-(2-sulfamoylphenyl)indolin-1-yl]acrylamide Formula: C26H23N5O3S MolecularWeight: 485.55752

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC(=C21)C3=CC=CC=C3S(=O)(=O)N)NC(=O)C=CC4=CC5=C(C=C4)C=CN=C5N

Isomeric SMILES

C1CN(C2=CC=CC(=C21)C3=CC=CC=C3S(=O)(=O)N)NC(=O)/C=C/C4=CC5=C(C=C4)C=CN=C5N

InChI

InChI=1S/C26H23N5O3S/c27-26-22-16-17(8-10-18(22)12-14-29-26)9-11-25(32)30-31-15-13-20-19(5-3-6-23(20)31)21-4-1-2-7-24(21)35(28,33)34/h1-12,14,16H,13,15H2,(H2,27,29)(H,30,32)(H2,28,33,34)/b11-9+