4-[5-(4-chlorophenyl)-1-(phenylsulfonylamino)pyrazol-1-ium-1-yl]benzenesulfonamide

Systemtic Name: 4-[5-(4-chlorophenyl)-1-(phenylsulfonylamino)pyrazol-1-ium-1-yl]benzenesulfonamide Openeye Name: 4-[1-(benzenesulfonamido)-5-(4-chlorophenyl)pyrazol-1-ium-1-yl]benzenesulfonamide CAS Name: 4-[1-(benzenesulfonamido)-5-(4-chlorophenyl)-1-pyrazol-1-iumyl]benzenesulfonamide IUPAC Name: 4-[1-(benzenesulfonamido)-5-(4-chlorophenyl)pyrazol-1-ium-1-yl]benzenesulfonamide Traditional Name: 4-[1-(benzenesulfonamido)-5-(4-chlorophenyl)pyrazol-1-ium-1-yl]benzenesulfonamide Formula: C21H18ClN4O4S2+ MolecularWeight: 489.97502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N[N+]2(C(=CC=N2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N[N+]2(C(=CC=N2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C21H18ClN4O4S2/c22-17-8-6-16(7-9-17)21-14-15-24-26(21,18-10-12-19(13-11-18)31(23,27)28)25-32(29,30)20-4-2-1-3-5-20/h1-15,25H,(H2,23,27,28)/q+1