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

Systemtic Name: N-methyl-N-[2-[[(E)-3-pyridin-3-ylprop-2-enyl]amino]phenyl]isoquinoline-5-sulfonamide Openeye Name: N-methyl-N-[2-[[(E)-3-(3-pyridyl)allyl]amino]phenyl]isoquinoline-5-sulfonamide CAS Name: N-methyl-N-[2-[[(E)-3-(3-pyridinyl)prop-2-enyl]amino]phenyl]-5-isoquinolinesulfonamide IUPAC Name: N-methyl-N-[2-[[(E)-3-pyridin-3-ylprop-2-enyl]amino]phenyl]isoquinoline-5-sulfonamide Traditional Name: N-methyl-N-[2-[[(E)-3-(3-pyridyl)allyl]amino]phenyl]isoquinoline-5-sulfonamide Formula: C24H22N4O2S MolecularWeight: 430.52208

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1NCC=CC2=CN=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CN(C1=CC=CC=C1NC/C=C/C2=CN=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C24H22N4O2S/c1-28(31(29,30)24-12-4-9-20-18-26-16-13-21(20)24)23-11-3-2-10-22(23)27-15-6-8-19-7-5-14-25-17-19/h2-14,16-18,27H,15H2,1H3/b8-6+