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

Systemtic Name: 1-methylsulfonyl-7-(4-morpholin-4-ylphenyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 1-methylsulfonyl-7-(4-morpholinophenyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 1-methylsulfonyl-7-[4-(4-morpholinyl)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 1-methylsulfonyl-7-(4-morpholin-4-ylphenyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 1-mesyl-7-(4-morpholinophenyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(=CC2=C1C=CC(=C2)C3=CC=C(C=C3)N4CCOCC4)C(=O)O

Isomeric SMILES

CS(=O)(=O)N1CCC(=CC2=C1C=CC(=C2)C3=CC=C(C=C3)N4CCOCC4)C(=O)O

InChI

InChI=1S/C22H24N2O5S/c1-30(27,28)24-9-8-18(22(25)26)15-19-14-17(4-7-21(19)24)16-2-5-20(6-3-16)23-10-12-29-13-11-23/h2-7,14-15H,8-13H2,1H3,(H,25,26)