3-chloranyl-N'-(4-methylphenyl)sulfonyl-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide

Systemtic Name: 3-chloranyl-N'-(4-methylphenyl)sulfonyl-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide Openeye Name: 3-chloro-N'-(p-tolylsulfonyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide CAS Name: 3-chloro-N'-(4-methylphenyl)sulfonyl-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide IUPAC Name: 3-chloro-N'-(4-methylphenyl)sulfonyl-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide Traditional Name: 3-chloro-N'-tosyl-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide Formula: C21H18ClN3O4S MolecularWeight: 443.90332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)N2CC3=CC=CC=C3OC4=C2C=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)N2CC3=CC=CC=C3OC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C21H18ClN3O4S/c1-14-6-9-17(10-7-14)30(27,28)24-23-21(26)25-13-15-4-2-3-5-19(15)29-20-11-8-16(22)12-18(20)25/h2-12,24H,13H2,1H3,(H,23,26)