N'-(2-bromanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonyl-1,3-benzodioxole-5-carbohydrazide

Systemtic Name: N'-(2-bromanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonyl-1,3-benzodioxole-5-carbohydrazide Openeye Name: N'-(2-bromo-5-pyrrolidin-1-ylsulfonyl-benzoyl)-1,3-benzodioxole-5-carbohydrazide CAS Name: N'-[[2-bromo-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]-1,3-benzodioxole-5-carbohydrazide IUPAC Name: N'-(2-bromo-5-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-benzodioxole-5-carbohydrazide Traditional Name: N'-(2-bromo-5-pyrrolidinosulfonyl-benzoyl)-1,3-benzodioxole-5-carbohydrazide Formula: C19H18BrN3O6S MolecularWeight: 496.33172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)NNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)NNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H18BrN3O6S/c20-15-5-4-13(30(26,27)23-7-1-2-8-23)10-14(15)19(25)22-21-18(24)12-3-6-16-17(9-12)29-11-28-16/h3-6,9-10H,1-2,7-8,11H2,(H,21,24)(H,22,25)