N-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)-3-(phenylsulfonyl)propanamide

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)propanamide CAS Name: 3-(benzenesulfonyl)-N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)propanamide IUPAC Name: 3-(benzenesulfonyl)-N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)propanamide Traditional Name: 3-besyl-N-(4-keto-3,3-dimethyl-5-propyl-2H-1,5-benzoxazepin-8-yl)propionamide Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3)OCC(C1=O)(C)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3)OCC(C1=O)(C)C

InChI

InChI=1S/C23H28N2O5S/c1-4-13-25-19-11-10-17(15-20(19)30-16-23(2,3)22(25)27)24-21(26)12-14-31(28,29)18-8-6-5-7-9-18/h5-11,15H,4,12-14,16H2,1-3H3,(H,24,26)