N'-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]-1,3-benzodioxole-5-carbohydrazide

Systemtic Name: N'-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]-1,3-benzodioxole-5-carbohydrazide Openeye Name: N'-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]-1,3-benzodioxole-5-carbohydrazide CAS Name: N'-[3-[4-(1-azepanylsulfonyl)phenyl]-1-oxopropyl]-1,3-benzodioxole-5-carbohydrazide IUPAC Name: N'-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]-1,3-benzodioxole-5-carbohydrazide Traditional Name: N'-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]-1,3-benzodioxole-5-carbohydrazide Formula: C23H27N3O6S MolecularWeight: 473.54198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O6S/c27-22(24-25-23(28)18-8-11-20-21(15-18)32-16-31-20)12-7-17-5-9-19(10-6-17)33(29,30)26-13-3-1-2-4-14-26/h5-6,8-11,15H,1-4,7,12-14,16H2,(H,24,27)(H,25,28)