cyanomethyl 2-(5-bromanyl-2-ethoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: cyanomethyl 2-(5-bromanyl-2-ethoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: cyanomethyl 2-(5-bromo-2-ethoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-(5-bromo-2-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-(5-bromo-2-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(5-bromo-2-ethoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid cyanomethyl ester Formula: C20H19BrN2O5S MolecularWeight: 479.34426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)OCC#N

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)OCC#N

InChI

InChI=1S/C20H19BrN2O5S/c1-2-27-18-8-7-16(21)12-19(18)29(25,26)23-13-15-6-4-3-5-14(15)11-17(23)20(24)28-10-9-22/h3-8,12,17H,2,10-11,13H2,1H3