N'-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethanoyl]-4-(diethylamino)benzohydrazide

Systemtic Name: N'-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethanoyl]-4-(diethylamino)benzohydrazide Openeye Name: N'-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]-4-(diethylamino)benzohydrazide CAS Name: N'-[2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-1-oxoethyl]-4-(diethylamino)benzohydrazide IUPAC Name: N'-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]-4-(diethylamino)benzohydrazide Traditional Name: N'-[2-[4-(azepan-1-ylsulfonyl)piperazino]acetyl]-4-(diethylamino)benzohydrazide Formula: C23H38N6O4S MolecularWeight: 494.65062

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)NNC(=O)CN2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)NNC(=O)CN2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H38N6O4S/c1-3-27(4-2)21-11-9-20(10-12-21)23(31)25-24-22(30)19-26-15-17-29(18-16-26)34(32,33)28-13-7-5-6-8-14-28/h9-12H,3-8,13-19H2,1-2H3,(H,24,30)(H,25,31)