5-[2-(3,3-diphenylprop-2-enylamino)ethylamino]isoquinoline-8-sulfonamide

Systemtic Name: 5-[2-(3,3-diphenylprop-2-enylamino)ethylamino]isoquinoline-8-sulfonamide Openeye Name: 5-[2-(3,3-diphenylallylamino)ethylamino]isoquinoline-8-sulfonamide CAS Name: 5-[2-(3,3-diphenylprop-2-enylamino)ethylamino]-8-isoquinolinesulfonamide IUPAC Name: 5-[2-(3,3-diphenylprop-2-enylamino)ethylamino]isoquinoline-8-sulfonamide Traditional Name: 5-[2-(3,3-diphenylallylamino)ethylamino]isoquinoline-8-sulfonamide Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=CCNCCNC2=C3C=CN=CC3=C(C=C2)S(=O)(=O)N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=CCNCCNC2=C3C=CN=CC3=C(C=C2)S(=O)(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C26H26N4O2S/c27-33(31,32)26-12-11-25(23-14-16-29-19-24(23)26)30-18-17-28-15-13-22(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,16,19,28,30H,15,17-18H2,(H2,27,31,32)