2-nitro-N-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]propyl]benzenesulfonamide

Systemtic Name: 2-nitro-N-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]propyl]benzenesulfonamide Openeye Name: N-[3-(4-benzylpiperazin-1-yl)-3-oxo-propyl]-2-nitro-benzenesulfonamide CAS Name: 2-nitro-N-[3-oxo-3-[4-(phenylmethyl)-1-piperazinyl]propyl]benzenesulfonamide IUPAC Name: N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-nitrobenzenesulfonamide Traditional Name: N-[3-(4-benzylpiperazino)-3-keto-propyl]-2-nitro-benzenesulfonamide Formula: C20H24N4O5S MolecularWeight: 432.49336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCNS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCNS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O5S/c25-20(23-14-12-22(13-15-23)16-17-6-2-1-3-7-17)10-11-21-30(28,29)19-9-5-4-8-18(19)24(26)27/h1-9,21H,10-16H2