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

Systemtic Name: N'-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]-3-nitro-benzohydrazide Openeye Name: N'-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]-3-nitro-benzohydrazide CAS Name: N'-[3-[4-(1-azepanylsulfonyl)phenyl]-1-oxopropyl]-3-nitrobenzohydrazide IUPAC Name: N'-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]-3-nitrobenzohydrazide Traditional Name: N'-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]-3-nitro-benzohydrazide Formula: C22H26N4O6S MolecularWeight: 474.53004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O6S/c27-21(23-24-22(28)18-6-5-7-19(16-18)26(29)30)13-10-17-8-11-20(12-9-17)33(31,32)25-14-3-1-2-4-15-25/h5-9,11-12,16H,1-4,10,13-15H2,(H,23,27)(H,24,28)