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

Systemtic Name: N-(2,4-dimethylpentan-3-yl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: N-(1-isopropyl-2-methyl-propyl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: N-(2,4-dimethylpentan-3-yl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: N-(2,4-dimethylpentan-3-yl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: N-(1-isopropyl-2-methyl-propyl)-5-mesyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C18H28N2O4S MolecularWeight: 368.49092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)C)NC(=O)C1CCN(C2=CC=CC=C2O1)S(=O)(=O)C

Isomeric SMILES

CC(C)C(C(C)C)NC(=O)C1CCN(C2=CC=CC=C2O1)S(=O)(=O)C

InChI

InChI=1S/C18H28N2O4S/c1-12(2)17(13(3)4)19-18(21)16-10-11-20(25(5,22)23)14-8-6-7-9-15(14)24-16/h6-9,12-13,16-17H,10-11H2,1-5H3,(H,19,21)