3-nitro-4-[4-(phenylcarbonyl)piperazin-1-yl]benzenesulfonamide

Systemtic Name: 3-nitro-4-[4-(phenylcarbonyl)piperazin-1-yl]benzenesulfonamide Openeye Name: 4-(4-benzoylpiperazin-1-yl)-3-nitro-benzenesulfonamide CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-(4-benzoylpiperazin-1-yl)-3-nitrobenzenesulfonamide Traditional Name: 4-(4-benzoylpiperazino)-3-nitro-benzenesulfonamide Formula: C17H18N4O5S MolecularWeight: 390.41362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])C(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H18N4O5S/c18-27(25,26)14-6-7-15(16(12-14)21(23)24)19-8-10-20(11-9-19)17(22)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H2,18,25,26)