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

Systemtic Name: N,N-diethyl-4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-nitro-benzenesulfonamide Formula: C16H27N4O5S+ MolecularWeight: 387.47438

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CCO)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CCO)[N+](=O)[O-]

InChI

InChI=1S/C16H26N4O5S/c1-3-19(4-2)26(24,25)14-5-6-15(16(13-14)20(22)23)18-9-7-17(8-10-18)11-12-21/h5-6,13,21H,3-4,7-12H2,1-2H3/p+1