2-[1-[(E)-3-(1-azanylisoquinolin-7-yl)prop-2-enoyl]-2,3-dihydroindol-5-yl]benzenesulfonamide

Systemtic Name: 2-[1-[(E)-3-(1-azanylisoquinolin-7-yl)prop-2-enoyl]-2,3-dihydroindol-5-yl]benzenesulfonamide Openeye Name: 2-[1-[(E)-3-(1-amino-7-isoquinolyl)prop-2-enoyl]indolin-5-yl]benzenesulfonamide CAS Name: 2-[1-[(E)-3-(1-amino-7-isoquinolinyl)-1-oxoprop-2-enyl]-2,3-dihydroindol-5-yl]benzenesulfonamide IUPAC Name: 2-[1-[(E)-3-(1-aminoisoquinolin-7-yl)prop-2-enoyl]-2,3-dihydroindol-5-yl]benzenesulfonamide Traditional Name: 2-[1-[(E)-3-(1-amino-7-isoquinolyl)acryloyl]indolin-5-yl]benzenesulfonamide Formula: C26H22N4O3S MolecularWeight: 470.54288

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)C(=O)C=CC4=CC5=C(C=C4)C=CN=C5N

Isomeric SMILES

C1CN(C2=C1C=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)C(=O)/C=C/C4=CC5=C(C=C4)C=CN=C5N

InChI

InChI=1S/C26H22N4O3S/c27-26-22-15-17(5-7-18(22)11-13-29-26)6-10-25(31)30-14-12-20-16-19(8-9-23(20)30)21-3-1-2-4-24(21)34(28,32)33/h1-11,13,15-16H,12,14H2,(H2,27,29)(H2,28,32,33)/b10-6+