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

Systemtic Name: N'-[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonyl-1,3-benzodioxole-5-carbohydrazide Openeye Name: N'-[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]-1,3-benzodioxole-5-carbohydrazide CAS Name: N'-[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]-1,3-benzodioxole-5-carbohydrazide IUPAC Name: N'-[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]-1,3-benzodioxole-5-carbohydrazide Traditional Name: N'-[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]-1,3-benzodioxole-5-carbohydrazide Formula: C21H22ClN3O6S MolecularWeight: 479.93388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O6S/c22-16-7-5-15(12-19(16)32(28,29)25-9-3-1-2-4-10-25)21(27)24-23-20(26)14-6-8-17-18(11-14)31-13-30-17/h5-8,11-12H,1-4,9-10,13H2,(H,23,26)(H,24,27)