N'-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]-3,4-dimethoxy-benzohydrazide

Systemtic Name: N'-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]-3,4-dimethoxy-benzohydrazide Openeye Name: N'-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]-3,4-dimethoxy-benzohydrazide CAS Name: N'-[3-[4-(1-azepanylsulfonyl)phenyl]-1-oxopropyl]-3,4-dimethoxybenzohydrazide IUPAC Name: N'-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]-3,4-dimethoxybenzohydrazide Traditional Name: N'-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]-3,4-dimethoxy-benzohydrazide Formula: C24H31N3O6S MolecularWeight: 489.58444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C24H31N3O6S/c1-32-21-13-10-19(17-22(21)33-2)24(29)26-25-23(28)14-9-18-7-11-20(12-8-18)34(30,31)27-15-5-3-4-6-16-27/h7-8,10-13,17H,3-6,9,14-16H2,1-2H3,(H,25,28)(H,26,29)