methyl 4-[3-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 4-[3-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 4-[2-hydroxy-3-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propoxy]benzoate CAS Name: 4-[2-hydroxy-3-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-hydroxy-3-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propoxy]benzoate Traditional Name: 4-[2-hydroxy-3-[4-(2-nitrophenyl)sulfonylpiperazino]propoxy]benzoic acid methyl ester Formula: C21H25N3O8S MolecularWeight: 479.5035

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])O

InChI

InChI=1S/C21H25N3O8S/c1-31-21(26)16-6-8-18(9-7-16)32-15-17(25)14-22-10-12-23(13-11-22)33(29,30)20-5-3-2-4-19(20)24(27)28/h2-9,17,25H,10-15H2,1H3