N-ethyl-3-nitro-N-phenyl-4-[4-(phenylmethyl)piperazin-1-yl]benzenesulfonamide

Systemtic Name: N-ethyl-3-nitro-N-phenyl-4-[4-(phenylmethyl)piperazin-1-yl]benzenesulfonamide Openeye Name: 4-(4-benzylpiperazin-1-yl)-N-ethyl-3-nitro-N-phenyl-benzenesulfonamide CAS Name: N-ethyl-3-nitro-N-phenyl-4-[4-(phenylmethyl)-1-piperazinyl]benzenesulfonamide IUPAC Name: 4-(4-benzylpiperazin-1-yl)-N-ethyl-3-nitro-N-phenylbenzenesulfonamide Traditional Name: 4-(4-benzylpiperazino)-N-ethyl-3-nitro-N-phenyl-benzenesulfonamide Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H28N4O4S/c1-2-28(22-11-7-4-8-12-22)34(32,33)23-13-14-24(25(19-23)29(30)31)27-17-15-26(16-18-27)20-21-9-5-3-6-10-21/h3-14,19H,2,15-18,20H2,1H3