4-[(E)-3-[2-(isoquinolin-5-ylsulfonylamino)ethylamino]but-1-enyl]benzamide

Systemtic Name: 4-[(E)-3-[2-(isoquinolin-5-ylsulfonylamino)ethylamino]but-1-enyl]benzamide Openeye Name: 4-[(E)-3-[2-(5-isoquinolylsulfonylamino)ethylamino]but-1-enyl]benzamide CAS Name: 4-[(E)-3-[2-(5-isoquinolinylsulfonylamino)ethylamino]but-1-enyl]benzamide IUPAC Name: 4-[(E)-3-[2-(isoquinolin-5-ylsulfonylamino)ethylamino]but-1-enyl]benzamide Traditional Name: 4-[(E)-3-[2-(5-isoquinolylsulfonylamino)ethylamino]but-1-enyl]benzamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CC1=CC=C(C=C1)C(=O)N)NCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC(/C=C/C1=CC=C(C=C1)C(=O)N)NCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C22H24N4O3S/c1-16(5-6-17-7-9-18(10-8-17)22(23)27)25-13-14-26-30(28,29)21-4-2-3-19-15-24-12-11-20(19)21/h2-12,15-16,25-26H,13-14H2,1H3,(H2,23,27)/b6-5+