6-chloranyl-N'-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carbohydrazide

Systemtic Name: 6-chloranyl-N'-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carbohydrazide Openeye Name: 6-chloro-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carbohydrazide CAS Name: 6-chloro-N'-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carbohydrazide IUPAC Name: 6-chloro-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carbohydrazide Traditional Name: 6-chloro-N'-(4-pyrrolidinosulfonylbenzoyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-carbohydrazide Formula: C21H22ClN3O6S MolecularWeight: 479.93388

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C21H22ClN3O6S/c22-17-12-15(13-18-19(17)31-11-3-10-30-18)21(27)24-23-20(26)14-4-6-16(7-5-14)32(28,29)25-8-1-2-9-25/h4-7,12-13H,1-3,8-11H2,(H,23,26)(H,24,27)