2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-phenoxyethyl)ethanamide

Systemtic Name: 2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-phenoxyethyl)ethanamide Openeye Name: 2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-phenoxyethyl)acetamide CAS Name: 2-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-phenoxyethyl)acetamide IUPAC Name: 2-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-phenoxyethyl)acetamide Traditional Name: 2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-phenoxyethyl)acetamide Formula: C21H27N4O7S+ MolecularWeight: 479.52668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCCOC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCCOC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O7S/c1-31-20-8-7-18(15-19(20)25(27)28)33(29,30)24-12-10-23(11-13-24)16-21(26)22-9-14-32-17-5-3-2-4-6-17/h2-8,15H,9-14,16H2,1H3,(H,22,26)/p+1