N-[4-[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: N-[4-[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: N-[4-[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide; 2-hydroxy-2-oxo-acetate CAS Name: N-[4-[[4-[(3-ethoxy-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]acetamide; 2-hydroxy-2-oxoacetate IUPAC Name: N-[4-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide; 2-hydroxy-2-oxoacetate Traditional Name: N-[4-[4-(3-ethoxy-4-methoxy-benzyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide binoxalate Formula: C24H31N3O9S MolecularWeight: 537.58264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C)OC.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C)OC.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C22H29N3O5S.C2H2O4/c1-4-30-22-15-18(5-10-21(22)29-3)16-24-11-13-25(14-12-24)31(27,28)20-8-6-19(7-9-20)23-17(2)26;3-1(4)2(5)6/h5-10,15H,4,11-14,16H2,1-3H3,(H,23,26);(H,3,4)(H,5,6)