2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3,4,5-trimethoxyphenyl)ethanamide

Systemtic Name: 2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: 2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide CAS Name: 2-[4-(2-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: 2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: 2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide Formula: C21H27N4O8S+ MolecularWeight: 495.52608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O8S/c1-31-17-12-15(13-18(32-2)21(17)33-3)22-20(26)14-23-8-10-24(11-9-23)34(29,30)19-7-5-4-6-16(19)25(27)28/h4-7,12-13H,8-11,14H2,1-3H3,(H,22,26)/p+1