N-(4-methyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-7-yl)-3-(phenylsulfonyl)propanamide

Systemtic Name: N-(4-methyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-7-yl)-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)propanamide CAS Name: 3-(benzenesulfonyl)-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)propanamide IUPAC Name: 3-(benzenesulfonyl)-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)propanamide Traditional Name: 3-besyl-N-(5-keto-4-methyl-2,3-dihydro-1,4-benzoxazepin-7-yl)propionamide Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCOC2=C(C1=O)C=C(C=C2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN1CCOC2=C(C1=O)C=C(C=C2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H20N2O5S/c1-21-10-11-26-17-8-7-14(13-16(17)19(21)23)20-18(22)9-12-27(24,25)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H,20,22)