2-[4-(2-ethoxyethoxy)phenyl]-1-methylsulfonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid

Systemtic Name: 2-[4-(2-ethoxyethoxy)phenyl]-1-methylsulfonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 2-[4-(2-ethoxyethoxy)phenyl]-1-methylsulfonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 2-[4-(2-ethoxyethoxy)phenyl]-1-methylsulfonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 2-[4-(2-ethoxyethoxy)phenyl]-1-methylsulfonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 2-[4-(2-ethoxyethoxy)phenyl]-1-mesyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=CC=C(C=C1)C2CC(=CC3=CC=CC=C3N2S(=O)(=O)C)C(=O)O

Isomeric SMILES

CCOCCOC1=CC=C(C=C1)C2CC(=CC3=CC=CC=C3N2S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C22H25NO6S/c1-3-28-12-13-29-19-10-8-16(9-11-19)21-15-18(22(24)25)14-17-6-4-5-7-20(17)23(21)30(2,26)27/h4-11,14,21H,3,12-13,15H2,1-2H3,(H,24,25)