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

Systemtic Name: 2-oxidanylidene-2-[2-[4-[(E)-2-phenylethenyl]phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]ethanoic acid Openeye Name: 2-oxo-2-[2-[4-[(E)-styryl]phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid CAS Name: 2-oxo-2-[2-[4-[(E)-2-phenylethenyl]phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid IUPAC Name: 2-oxo-2-[2-[4-[(E)-2-phenylethenyl]phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid Traditional Name: 2-keto-2-[2-[4-[(E)-styryl]phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid Formula: C25H21NO5S MolecularWeight: 447.50294

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C=CC4=CC=CC=C4)C(=O)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)/C=C/C4=CC=CC=C4)C(=O)C(=O)O

InChI

InChI=1S/C25H21NO5S/c27-24(25(28)29)23-16-20-8-4-5-9-21(20)17-26(23)32(30,31)22-14-12-19(13-15-22)11-10-18-6-2-1-3-7-18/h1-15,23H,16-17H2,(H,28,29)/b11-10+