2-oxidanylidene-2-[2-[(E)-2-phenylethenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]ethanoic acid

Systemtic Name: 2-oxidanylidene-2-[2-[(E)-2-phenylethenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]ethanoic acid Openeye Name: 2-oxo-2-[2-[(E)-styryl]sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid CAS Name: 2-oxo-2-[2-[(E)-2-phenylethenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid IUPAC Name: 2-oxo-2-[2-[(E)-2-phenylethenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid Traditional Name: 2-keto-2-[2-[(E)-styryl]sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid Formula: C19H17NO5S MolecularWeight: 371.40698

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C=CC3=CC=CC=C3)C(=O)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)/C=C/C3=CC=CC=C3)C(=O)C(=O)O

InChI

InChI=1S/C19H17NO5S/c21-18(19(22)23)17-12-15-8-4-5-9-16(15)13-20(17)26(24,25)11-10-14-6-2-1-3-7-14/h1-11,17H,12-13H2,(H,22,23)/b11-10+