N-(3-chloranyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-1-(2-methylphenyl)methanesulfonamide

Systemtic Name: N-(3-chloranyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-1-(2-methylphenyl)methanesulfonamide Openeye Name: N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-1-(o-tolyl)methanesulfonamide CAS Name: N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-1-(2-methylphenyl)methanesulfonamide IUPAC Name: N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-1-(2-methylphenyl)methanesulfonamide Traditional Name: N-(3-chloro-6-keto-5H-benzo[b][1,4]benzoxazepin-8-yl)-1-(o-tolyl)methanesulfonamide Formula: C21H17ClN2O4S MolecularWeight: 428.88868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS(=O)(=O)NC2=CC3=C(C=C2)OC4=C(C=C(C=C4)Cl)NC3=O

Isomeric SMILES

CC1=CC=CC=C1CS(=O)(=O)NC2=CC3=C(C=C2)OC4=C(C=C(C=C4)Cl)NC3=O

InChI

InChI=1S/C21H17ClN2O4S/c1-13-4-2-3-5-14(13)12-29(26,27)24-16-7-9-19-17(11-16)21(25)23-18-10-15(22)6-8-20(18)28-19/h2-11,24H,12H2,1H3,(H,23,25)