N'-[3-(azepan-1-ylsulfonyl)phenyl]carbonyl-1,3-benzodioxole-5-carbohydrazide

Systemtic Name: N'-[3-(azepan-1-ylsulfonyl)phenyl]carbonyl-1,3-benzodioxole-5-carbohydrazide Openeye Name: N'-[3-(azepan-1-ylsulfonyl)benzoyl]-1,3-benzodioxole-5-carbohydrazide CAS Name: N'-[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]-1,3-benzodioxole-5-carbohydrazide IUPAC Name: N'-[3-(azepan-1-ylsulfonyl)benzoyl]-1,3-benzodioxole-5-carbohydrazide Traditional Name: N'-[3-(azepan-1-ylsulfonyl)benzoyl]-1,3-benzodioxole-5-carbohydrazide Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N3O6S/c25-20(22-23-21(26)16-8-9-18-19(13-16)30-14-29-18)15-6-5-7-17(12-15)31(27,28)24-10-3-1-2-4-11-24/h5-9,12-13H,1-4,10-11,14H2,(H,22,25)(H,23,26)