5-methylsulfonyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide

Systemtic Name: 5-methylsulfonyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: 5-methylsulfonyl-N-(3-pyridylmethyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: 5-methylsulfonyl-N-(3-pyridinylmethyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: 5-methylsulfonyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 5-mesyl-N-(3-pyridylmethyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C17H19N3O4S MolecularWeight: 361.41546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(OC2=CC=CC=C21)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCC(OC2=CC=CC=C21)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C17H19N3O4S/c1-25(22,23)20-10-8-16(24-15-7-3-2-6-14(15)20)17(21)19-12-13-5-4-9-18-11-13/h2-7,9,11,16H,8,10,12H2,1H3,(H,19,21)