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

Systemtic Name: (4-nitrophenyl)methyl (3S)-2-[(E)-2-phenylethenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (4-nitrophenyl)methyl (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 (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (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 (4-nitrobenzyl) ester Formula: C25H22N2O6S MolecularWeight: 478.51698

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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)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)S(=O)(=O)/C=C/C3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H22N2O6S/c28-25(33-18-20-10-12-23(13-11-20)27(29)30)24-16-21-8-4-5-9-22(21)17-26(24)34(31,32)15-14-19-6-2-1-3-7-19/h1-15,24H,16-18H2/b15-14+/t24-/m0/s1