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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2OC3=C(N1C(=O)NNS(=O)(=O)CC4=CC=CC=C4)C=C(C=C3)Cl

Isomeric SMILES

C1C2=CC=CC=C2OC3=C(N1C(=O)NNS(=O)(=O)CC4=CC=CC=C4)C=C(C=C3)Cl

InChI

InChI=1S/C21H18ClN3O4S/c22-17-10-11-20-18(12-17)25(13-16-8-4-5-9-19(16)29-20)21(26)23-24-30(27,28)14-15-6-2-1-3-7-15/h1-12,24H,13-14H2,(H,23,26)