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

Systemtic Name: 3-chloranyl-N'-(3-ethylsulfonylpropanoyl)-6-methyl-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide Openeye Name: 3-chloro-N'-(3-ethylsulfonylpropanoyl)-6-methyl-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide CAS Name: 3-chloro-N'-(3-ethylsulfonyl-1-oxopropyl)-6-methyl-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide IUPAC Name: 3-chloro-N'-(3-ethylsulfonylpropanoyl)-6-methyl-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide Traditional Name: 3-chloro-N'-(3-esylpropanoyl)-6-methyl-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide Formula: C20H22ClN3O5S MolecularWeight: 451.92378

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CCC(=O)NNC(=O)N1C(C2=CC=CC=C2OC3=C1C=C(C=C3)Cl)C

Isomeric SMILES

CCS(=O)(=O)CCC(=O)NNC(=O)N1C(C2=CC=CC=C2OC3=C1C=C(C=C3)Cl)C

InChI

InChI=1S/C20H22ClN3O5S/c1-3-30(27,28)11-10-19(25)22-23-20(26)24-13(2)15-6-4-5-7-17(15)29-18-9-8-14(21)12-16(18)24/h4-9,12-13H,3,10-11H2,1-2H3,(H,22,25)(H,23,26)