1-[(4-prop-2-enylsulfonylphenyl)methyl]isoquinoline

Systemtic Name: 1-[(4-prop-2-enylsulfonylphenyl)methyl]isoquinoline Openeye Name: 1-[(4-allylsulfonylphenyl)methyl]isoquinoline CAS Name: 1-[(4-prop-2-enylsulfonylphenyl)methyl]isoquinoline IUPAC Name: 1-[(4-prop-2-enylsulfonylphenyl)methyl]isoquinoline Traditional Name: 1-(4-allylsulfonylbenzyl)isoquinoline Formula: C19H17NO2S MolecularWeight: 323.40878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCS(=O)(=O)C1=CC=C(C=C1)CC2=NC=CC3=CC=CC=C32

Isomeric SMILES

C=CCS(=O)(=O)C1=CC=C(C=C1)CC2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C19H17NO2S/c1-2-13-23(21,22)17-9-7-15(8-10-17)14-19-18-6-4-3-5-16(18)11-12-20-19/h2-12H,1,13-14H2