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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CCOCCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C23H27NO6S/c1-3-29-13-4-14-30-21-8-5-17(6-9-21)18-7-10-22-20(15-18)16-19(23(25)26)11-12-24(22)31(2,27)28/h5-10,15-16H,3-4,11-14H2,1-2H3,(H,25,26)