N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]phenyl]-N-methyl-isoquinoline-5-sulfonamide

Systemtic Name: N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]phenyl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[2-[[(E)-3-(4-chlorophenyl)allyl]amino]phenyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]phenyl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]phenyl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[2-[[(E)-3-(4-chlorophenyl)allyl]amino]phenyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C25H22ClN3O2S MolecularWeight: 463.97908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClN3O2S/c1-29(32(30,31)25-10-4-7-20-18-27-17-15-22(20)25)24-9-3-2-8-23(24)28-16-5-6-19-11-13-21(26)14-12-19/h2-15,17-18,28H,16H2,1H3/b6-5+