1-methylsulfonyl-7-[4-(2-propan-2-yloxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid

Systemtic Name: 1-methylsulfonyl-7-[4-(2-propan-2-yloxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 7-[4-(2-isopropoxyethoxy)phenyl]-1-methylsulfonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 1-methylsulfonyl-7-[4-(2-propan-2-yloxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 1-methylsulfonyl-7-[4-(2-propan-2-yloxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 7-[4-(2-isopropoxyethoxy)phenyl]-1-mesyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C23H27NO6S MolecularWeight: 445.52858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CC(C)OCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C23H27NO6S/c1-16(2)29-12-13-30-21-7-4-17(5-8-21)18-6-9-22-20(14-18)15-19(23(25)26)10-11-24(22)31(3,27)28/h4-9,14-16H,10-13H2,1-3H3,(H,25,26)