4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide CAS Name: 4-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide Formula: C19H25N4O6S+ MolecularWeight: 437.49

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)CCO)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)CCO)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O6S/c1-29-16-4-2-15(3-5-16)20-30(27,28)17-6-7-18(19(14-17)23(25)26)22-10-8-21(9-11-22)12-13-24/h2-7,14,20,24H,8-13H2,1H3/p+1