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

Systemtic Name: 1-(4-methylphenyl)sulfonyl-7-(4-morpholin-4-ylphenyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 7-(4-morpholinophenyl)-1-(p-tolylsulfonyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 1-(4-methylphenyl)sulfonyl-7-[4-(4-morpholinyl)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 1-(4-methylphenyl)sulfonyl-7-(4-morpholin-4-ylphenyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 7-(4-morpholinophenyl)-1-tosyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C28H28N2O5S MolecularWeight: 504.59732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=CC3=C2C=CC(=C3)C4=CC=C(C=C4)N5CCOCC5)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=CC3=C2C=CC(=C3)C4=CC=C(C=C4)N5CCOCC5)C(=O)O

InChI

InChI=1S/C28H28N2O5S/c1-20-2-9-26(10-3-20)36(33,34)30-13-12-23(28(31)32)19-24-18-22(6-11-27(24)30)21-4-7-25(8-5-21)29-14-16-35-17-15-29/h2-11,18-19H,12-17H2,1H3,(H,31,32)