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

Systemtic Name: (E)-3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methoxy-phenyl]acrylic acid Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO5S/c1-25-17-8-6-14(7-9-19(21)22)12-18(17)26(23,24)20-11-10-15-4-2-3-5-16(15)13-20/h2-9,12H,10-11,13H2,1H3,(H,21,22)/b9-7+