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

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)propanamide CAS Name: 3-(benzenesulfonyl)-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]propanamide Traditional Name: 3-besyl-N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)propionamide Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=C(C=C2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=C(C=C2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3)OCC(C1=O)(C)C

InChI

InChI=1S/C25H32N2O5S/c1-18(2)12-14-27-21-11-10-19(16-22(21)32-17-25(3,4)24(27)29)26-23(28)13-15-33(30,31)20-8-6-5-7-9-20/h5-11,16,18H,12-15,17H2,1-4H3,(H,26,28)