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

Systemtic Name: (3R)-2-(5-bromanyl-2-ethoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3R)-2-(5-bromo-2-ethoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-(5-bromo-2-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3R)-2-(5-bromo-2-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-(5-bromo-2-ethoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C18H17BrNO5S- MolecularWeight: 439.30028

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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)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)[O-]

InChI

InChI=1S/C18H18BrNO5S/c1-2-25-16-8-7-14(19)10-17(16)26(23,24)20-11-13-6-4-3-5-12(13)9-15(20)18(21)22/h3-8,10,15H,2,9,11H2,1H3,(H,21,22)/p-1/t15-/m1/s1