N-(3-methyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-2-(4-propan-2-ylsulfonylphenyl)ethanamide

Systemtic Name: N-(3-methyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-2-(4-propan-2-ylsulfonylphenyl)ethanamide Openeye Name: 2-(4-isopropylsulfonylphenyl)-N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)acetamide CAS Name: N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide IUPAC Name: N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide Traditional Name: 2-(4-isopropylsulfonylphenyl)-N-(6-keto-3-methyl-5H-benzo[b][1,4]benzoxazepin-8-yl)acetamide Formula: C25H24N2O5S MolecularWeight: 464.53346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)CC4=CC=C(C=C4)S(=O)(=O)C(C)C)C(=O)N2

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)CC4=CC=C(C=C4)S(=O)(=O)C(C)C)C(=O)N2

InChI

InChI=1S/C25H24N2O5S/c1-15(2)33(30,31)19-8-5-17(6-9-19)13-24(28)26-18-7-11-22-20(14-18)25(29)27-21-12-16(3)4-10-23(21)32-22/h4-12,14-15H,13H2,1-3H3,(H,26,28)(H,27,29)