3-nitro-N-[1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl]benzamide

Systemtic Name: 3-nitro-N-[1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl]benzamide Openeye Name: N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[1-[4-(benzenesulfonyl)-1-piperazinyl]-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: N-[1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: N-[2-(4-besylpiperazino)-2-keto-1-methyl-ethyl]-3-nitro-benzamide Formula: C20H22N4O6S MolecularWeight: 446.47688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O6S/c1-15(21-19(25)16-6-5-7-17(14-16)24(27)28)20(26)22-10-12-23(13-11-22)31(29,30)18-8-3-2-4-9-18/h2-9,14-15H,10-13H2,1H3,(H,21,25)