2-nitro-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-N-phenyl-benzenesulfonamide

Systemtic Name: 2-nitro-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-N-phenyl-benzenesulfonamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-2-nitro-N-phenyl-benzenesulfonamide CAS Name: 2-nitro-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-N-phenylbenzenesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-2-nitro-N-phenylbenzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-2-nitro-N-phenyl-benzenesulfonamide Formula: C25H27N4O5S+ MolecularWeight: 495.57068

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CN(C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CN(C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C25H26N4O5S/c30-25(27-17-15-26(16-18-27)19-21-9-3-1-4-10-21)20-28(22-11-5-2-6-12-22)35(33,34)24-14-8-7-13-23(24)29(31)32/h1-14H,15-20H2/p+1