3-nitro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzenesulfonamide

Systemtic Name: 3-nitro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzenesulfonamide Openeye Name: 3-nitro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzenesulfonamide CAS Name: 3-nitro-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]benzenesulfonamide IUPAC Name: 3-nitro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzenesulfonamide Traditional Name: 3-nitro-4-(4-pyridin-1-ium-2-ylpiperazino)benzenesulfonamide Formula: C15H18N5O4S+ MolecularWeight: 364.39952

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])C3=CC=CC=[NH+]3

InChI

InChI=1S/C15H17N5O4S/c16-25(23,24)12-4-5-13(14(11-12)20(21)22)18-7-9-19(10-8-18)15-3-1-2-6-17-15/h1-6,11H,7-10H2,(H2,16,23,24)/p+1