N-[2-[[(E)-3-pyridin-3-ylprop-2-enyl]amino]phenyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[2-[[(E)-3-pyridin-3-ylprop-2-enyl]amino]phenyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-[[(E)-3-(3-pyridyl)allyl]amino]phenyl]isoquinoline-5-sulfonamide CAS Name: N-[2-[[(E)-3-(3-pyridinyl)prop-2-enyl]amino]phenyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-[[(E)-3-pyridin-3-ylprop-2-enyl]amino]phenyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-[[(E)-3-(3-pyridyl)allyl]amino]phenyl]isoquinoline-5-sulfonamide Formula: C23H20N4O2S MolecularWeight: 416.4955

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NCC=CC2=CN=CC=C2)NS(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1=CC=C(C(=C1)NC/C=C/C2=CN=CC=C2)NS(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C23H20N4O2S/c28-30(29,23-11-3-8-19-17-25-15-12-20(19)23)27-22-10-2-1-9-21(22)26-14-5-7-18-6-4-13-24-16-18/h1-13,15-17,26-27H,14H2/b7-5+