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

Systemtic Name: N-tert-butyl-4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N4O5S/c1-16(2,3)17-26(24,25)13-4-5-14(15(12-13)20(22)23)19-8-6-18(7-9-19)10-11-21/h4-5,12,17,21H,6-11H2,1-3H3/p+1