N'-[2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylethanoyl]-3-nitro-benzohydrazide

Systemtic Name: N'-[2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylethanoyl]-3-nitro-benzohydrazide Openeye Name: N'-[2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]acetyl]-3-nitro-benzohydrazide CAS Name: N'-[2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-1-oxoethyl]-3-nitrobenzohydrazide IUPAC Name: N'-[2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylacetyl]-3-nitrobenzohydrazide Traditional Name: N'-[2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]acetyl]-3-nitro-benzohydrazide Formula: C20H23N5O6S2 MolecularWeight: 493.55652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O6S2/c26-18(22-23-20(27)15-6-5-7-16(12-15)25(28)29)14-32-19-9-8-17(13-21-19)33(30,31)24-10-3-1-2-4-11-24/h5-9,12-13H,1-4,10-11,14H2,(H,22,26)(H,23,27)