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

Systemtic Name: N-(3-acetamidophenyl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: N-(3-acetamidophenyl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: N-(3-acetamidophenyl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: N-(3-acetamidophenyl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: N-(3-acetamidophenyl)-5-mesyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C19H21N3O5S MolecularWeight: 403.45214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)NC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)NC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C

InChI

InChI=1S/C19H21N3O5S/c1-13(23)20-14-6-5-7-15(12-14)21-19(24)18-10-11-22(28(2,25)26)16-8-3-4-9-17(16)27-18/h3-9,12,18H,10-11H2,1-2H3,(H,20,23)(H,21,24)