N'-[2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylethanoyl]-4-chloranyl-benzohydrazide

Systemtic Name: N'-[2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylethanoyl]-4-chloranyl-benzohydrazide Openeye Name: N'-[2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]acetyl]-4-chloro-benzohydrazide CAS Name: N'-[2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-1-oxoethyl]-4-chlorobenzohydrazide IUPAC Name: N'-[2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylacetyl]-4-chlorobenzohydrazide Traditional Name: N'-[2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]acetyl]-4-chloro-benzohydrazide Formula: C20H23ClN4O4S2 MolecularWeight: 483.00402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NNC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NNC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H23ClN4O4S2/c21-16-7-5-15(6-8-16)20(27)24-23-18(26)14-30-19-10-9-17(13-22-19)31(28,29)25-11-3-1-2-4-12-25/h5-10,13H,1-4,11-12,14H2,(H,23,26)(H,24,27)