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

Systemtic Name: N-ethyl-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylphenyl)ethanamide Openeye Name: N-ethyl-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(o-tolyl)acetamide CAS Name: N-ethyl-2-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-methylphenyl)acetamide IUPAC Name: N-ethyl-2-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylphenyl)acetamide Traditional Name: N-ethyl-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(o-tolyl)acetamide Formula: C22H29N4O6S+ MolecularWeight: 477.55386

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCN(C1=CC=CC=C1C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O6S/c1-4-25(19-8-6-5-7-17(19)2)22(27)16-23-11-13-24(14-12-23)33(30,31)18-9-10-21(32-3)20(15-18)26(28)29/h5-10,15H,4,11-14,16H2,1-3H3/p+1