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

Systemtic Name: (E)-3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methyl-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methyl-phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methylphenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methylphenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methyl-phenyl]acrylic acid Formula: C19H19NO4S MolecularWeight: 357.42346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC(=O)O)S(=O)(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C19H19NO4S/c1-14-6-7-15(8-9-19(21)22)12-18(14)25(23,24)20-11-10-16-4-2-3-5-17(16)13-20/h2-9,12H,10-11,13H2,1H3,(H,21,22)/b9-8+