(E)-3-[4-(isoquinolin-1-ylmethylsulfamoyl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(isoquinolin-1-ylmethylsulfamoyl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(1-isoquinolylmethylsulfamoyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(1-isoquinolinylmethylsulfamoyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(isoquinolin-1-ylmethylsulfamoyl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(1-isoquinolylmethylsulfamoyl)phenyl]acrylic acid Formula: C19H16N2O4S MolecularWeight: 368.40634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2CNS(=O)(=O)C3=CC=C(C=C3)C=CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2CNS(=O)(=O)C3=CC=C(C=C3)/C=C/C(=O)O

InChI

InChI=1S/C19H16N2O4S/c22-19(23)10-7-14-5-8-16(9-6-14)26(24,25)21-13-18-17-4-2-1-3-15(17)11-12-20-18/h1-12,21H,13H2,(H,22,23)/b10-7+