7-(4-ethoxyphenyl)-1-methylsulfonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid

Systemtic Name: 7-(4-ethoxyphenyl)-1-methylsulfonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 7-(4-ethoxyphenyl)-1-methylsulfonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 7-(4-ethoxyphenyl)-1-methylsulfonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 7-(4-ethoxyphenyl)-1-methylsulfonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 1-mesyl-7-p-phenetyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C20H21NO5S MolecularWeight: 387.44944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5S/c1-3-26-18-7-4-14(5-8-18)15-6-9-19-17(12-15)13-16(20(22)23)10-11-21(19)27(2,24)25/h4-9,12-13H,3,10-11H2,1-2H3,(H,22,23)