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

Systemtic Name: 7-chloranyl-5-methylsulfonyl-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: 7-chloro-5-methylsulfonyl-N-(3-morpholinopropyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: 7-chloro-5-methylsulfonyl-N-[3-(4-morpholinyl)propyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: 7-chloro-5-methylsulfonyl-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 7-chloro-5-mesyl-N-(3-morpholinopropyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C18H26ClN3O5S MolecularWeight: 431.93414

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(OC2=C1C=C(C=C2)Cl)C(=O)NCCCN3CCOCC3

Isomeric SMILES

CS(=O)(=O)N1CCC(OC2=C1C=C(C=C2)Cl)C(=O)NCCCN3CCOCC3

InChI

InChI=1S/C18H26ClN3O5S/c1-28(24,25)22-8-5-17(27-16-4-3-14(19)13-15(16)22)18(23)20-6-2-7-21-9-11-26-12-10-21/h3-4,13,17H,2,5-12H2,1H3,(H,20,23)