N-methyl-3-nitro-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]benzenesulfonamide

Systemtic Name: N-methyl-3-nitro-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]benzenesulfonamide Openeye Name: N-methyl-3-nitro-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]benzenesulfonamide CAS Name: N-methyl-3-nitro-4-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]benzenesulfonamide IUPAC Name: N-methyl-3-nitro-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]benzenesulfonamide Traditional Name: N-methyl-3-nitro-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]benzenesulfonamide Formula: C19H25N4O5S+ MolecularWeight: 421.4906

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CCOC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CCOC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O5S/c1-20-29(26,27)17-7-8-18(19(15-17)23(24)25)22-11-9-21(10-12-22)13-14-28-16-5-3-2-4-6-16/h2-8,15,20H,9-14H2,1H3/p+1