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

Systemtic Name: 2-(5-bromanyl-2-ethoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(5-bromo-2-ethoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(5-bromo-2-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(5-bromo-2-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(5-bromo-2-ethoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C18H18BrNO5S MolecularWeight: 440.30822

Click to see the large picture

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=C3CC2C(=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)