(E)-3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4,5-dimethoxy-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4,5-dimethoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4,5-dimethoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4,5-dimethoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4,5-dimethoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4,5-dimethoxy-phenyl]acrylic acid Formula: C20H21NO6S MolecularWeight: 403.44884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)N2CCC3=CC=CC=C3C2)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)O)S(=O)(=O)N2CCC3=CC=CC=C3C2)OC

InChI

InChI=1S/C20H21NO6S/c1-26-17-11-14(7-8-19(22)23)12-18(20(17)27-2)28(24,25)21-10-9-15-5-3-4-6-16(15)13-21/h3-8,11-12H,9-10,13H2,1-2H3,(H,22,23)/b8-7+