4-[2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]ethoxy]benzenesulfonamide

Systemtic Name: 4-[2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]ethoxy]benzenesulfonamide Openeye Name: 4-[2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]ethoxy]benzenesulfonamide CAS Name: 4-[2-[4-(2-nitrophenyl)-1-piperazin-1-iumyl]ethoxy]benzenesulfonamide IUPAC Name: 4-[2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]ethoxy]benzenesulfonamide Traditional Name: 4-[2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]ethoxy]benzenesulfonamide Formula: C18H23N4O5S+ MolecularWeight: 407.46402

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O5S/c19-28(25,26)16-7-5-15(6-8-16)27-14-13-20-9-11-21(12-10-20)17-3-1-2-4-18(17)22(23)24/h1-8H,9-14H2,(H2,19,25,26)/p+1