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

Systemtic Name: N-(3-chloranyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-2-methoxy-5-methyl-benzenesulfonamide Openeye Name: N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2-methoxy-5-methyl-benzenesulfonamide CAS Name: N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2-methoxy-5-methylbenzenesulfonamide IUPAC Name: N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2-methoxy-5-methylbenzenesulfonamide Traditional Name: N-(3-chloro-6-keto-5H-benzo[b][1,4]benzoxazepin-8-yl)-2-methoxy-5-methyl-benzenesulfonamide Formula: C21H17ClN2O5S MolecularWeight: 444.88808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC3=C(C=C2)OC4=C(C=C(C=C4)Cl)NC3=O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC3=C(C=C2)OC4=C(C=C(C=C4)Cl)NC3=O

InChI

InChI=1S/C21H17ClN2O5S/c1-12-3-6-19(28-2)20(9-12)30(26,27)24-14-5-8-17-15(11-14)21(25)23-16-10-13(22)4-7-18(16)29-17/h3-11,24H,1-2H3,(H,23,25)