N-(3,5-dimethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-2-phenyl-ethanesulfonamide

Systemtic Name: N-(3,5-dimethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-2-phenyl-ethanesulfonamide Openeye Name: N-(3,5-dimethyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)-2-phenyl-ethanesulfonamide CAS Name: N-(3,5-dimethyl-6-oxo-8-benzo[b][1,4]benzoxazepinyl)-2-phenylethanesulfonamide IUPAC Name: N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2-phenylethanesulfonamide Traditional Name: N-(6-keto-3,5-dimethyl-benzo[b][1,4]benzoxazepin-8-yl)-2-phenyl-ethanesulfonamide Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NS(=O)(=O)CCC4=CC=CC=C4)C(=O)N2C

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NS(=O)(=O)CCC4=CC=CC=C4)C(=O)N2C

InChI

InChI=1S/C23H22N2O4S/c1-16-8-10-22-20(14-16)25(2)23(26)19-15-18(9-11-21(19)29-22)24-30(27,28)13-12-17-6-4-3-5-7-17/h3-11,14-15,24H,12-13H2,1-2H3