ethyl 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-2-nitro-phenyl]sulfonylethanoate

Systemtic Name: ethyl 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-2-nitro-phenyl]sulfonylethanoate Openeye Name: ethyl 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-nitro-phenyl]sulfonylacetate CAS Name: 2-[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-2-nitrophenyl]sulfonylacetic acid ethyl ester IUPAC Name: ethyl 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-nitrophenyl]sulfonylacetate Traditional Name: 2-[2-nitro-4-(4-piperonylpiperazine-1-carbonyl)phenyl]sulfonylacetic acid ethyl ester Formula: C23H25N3O9S MolecularWeight: 519.5243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CS(=O)(=O)C1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CS(=O)(=O)C1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O9S/c1-2-33-22(27)14-36(31,32)21-6-4-17(12-18(21)26(29)30)23(28)25-9-7-24(8-10-25)13-16-3-5-19-20(11-16)35-15-34-19/h3-6,11-12H,2,7-10,13-15H2,1H3