7-(4-ethoxy-3-fluoranyl-phenyl)-1-methylsulfonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid

Systemtic Name: 7-(4-ethoxy-3-fluoranyl-phenyl)-1-methylsulfonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 7-(4-ethoxy-3-fluoro-phenyl)-1-methylsulfonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 7-(4-ethoxy-3-fluorophenyl)-1-methylsulfonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 7-(4-ethoxy-3-fluorophenyl)-1-methylsulfonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 7-(4-ethoxy-3-fluoro-phenyl)-1-mesyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C20H20FNO5S MolecularWeight: 405.439903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)S(=O)(=O)C)F

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)S(=O)(=O)C)F

InChI

InChI=1S/C20H20FNO5S/c1-3-27-19-7-5-14(12-17(19)21)13-4-6-18-16(10-13)11-15(20(23)24)8-9-22(18)28(2,25)26/h4-7,10-12H,3,8-9H2,1-2H3,(H,23,24)