methyl 1-methylsulfonyl-7-(4-morpholin-4-ylphenyl)-2,3-dihydro-1-benzazepine-4-carboxylate

Systemtic Name: methyl 1-methylsulfonyl-7-(4-morpholin-4-ylphenyl)-2,3-dihydro-1-benzazepine-4-carboxylate Openeye Name: methyl 1-methylsulfonyl-7-(4-morpholinophenyl)-2,3-dihydro-1-benzazepine-4-carboxylate CAS Name: 1-methylsulfonyl-7-[4-(4-morpholinyl)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester IUPAC Name: methyl 1-methylsulfonyl-7-(4-morpholin-4-ylphenyl)-2,3-dihydro-1-benzazepine-4-carboxylate Traditional Name: 1-mesyl-7-(4-morpholinophenyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=CC(=C2)C3=CC=C(C=C3)N4CCOCC4)N(CC1)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC2=C(C=CC(=C2)C3=CC=C(C=C3)N4CCOCC4)N(CC1)S(=O)(=O)C

InChI

InChI=1S/C23H26N2O5S/c1-29-23(26)19-9-10-25(31(2,27)28)22-8-5-18(15-20(22)16-19)17-3-6-21(7-4-17)24-11-13-30-14-12-24/h3-8,15-16H,9-14H2,1-2H3