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

Systemtic Name: N-(2,5-dimethoxyphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,5-dimethoxyphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(2,5-dimethoxyphenyl)-2-[4-(2-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,5-dimethoxyphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,5-dimethoxyphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C20H25N4O7S+ MolecularWeight: 465.5001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O7S/c1-30-15-7-8-18(31-2)16(13-15)21-20(25)14-22-9-11-23(12-10-22)32(28,29)19-6-4-3-5-17(19)24(26)27/h3-8,13H,9-12,14H2,1-2H3,(H,21,25)/p+1