5-methylsulfonyl-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide

Systemtic Name: 5-methylsulfonyl-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: 5-methylsulfonyl-N-(3-morpholinopropyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: 5-methylsulfonyl-N-[3-(4-morpholinyl)propyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: 5-methylsulfonyl-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 5-mesyl-N-(3-morpholinopropyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C18H27N3O5S MolecularWeight: 397.48908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(OC2=CC=CC=C21)C(=O)NCCCN3CCOCC3

Isomeric SMILES

CS(=O)(=O)N1CCC(OC2=CC=CC=C21)C(=O)NCCCN3CCOCC3

InChI

InChI=1S/C18H27N3O5S/c1-27(23,24)21-10-7-17(26-16-6-3-2-5-15(16)21)18(22)19-8-4-9-20-11-13-25-14-12-20/h2-3,5-6,17H,4,7-14H2,1H3,(H,19,22)