phenacyl (3S)-2-[(E)-2-phenylethenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: phenacyl (3S)-2-[(E)-2-phenylethenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: phenacyl (3S)-2-[(E)-styryl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[(E)-2-phenylethenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid phenacyl ester IUPAC Name: phenacyl (3S)-2-[(E)-2-phenylethenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-[(E)-styryl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid phenacyl ester Formula: C26H23NO5S MolecularWeight: 461.52952

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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)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)S(=O)(=O)/C=C/C3=CC=CC=C3)C(=O)OCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H23NO5S/c28-25(21-11-5-2-6-12-21)19-32-26(29)24-17-22-13-7-8-14-23(22)18-27(24)33(30,31)16-15-20-9-3-1-4-10-20/h1-16,24H,17-19H2/b16-15+/t24-/m0/s1