N-(2-methoxy-5-nitro-phenyl)piperazin-4-ium-1-sulfonamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)piperazin-4-ium-1-sulfonamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)piperazin-4-ium-1-sulfonamide CAS Name: N-(2-methoxy-5-nitrophenyl)-1-piperazin-4-iumsulfonamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)piperazin-4-ium-1-sulfonamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)piperazin-4-ium-1-sulfonamide Formula: C11H17N4O5S+ MolecularWeight: 317.34148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)N2CC[NH2+]CC2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C11H16N4O5S/c1-20-11-3-2-9(15(16)17)8-10(11)13-21(18,19)14-6-4-12-5-7-14/h2-3,8,12-13H,4-7H2,1H3/p+1