dimethyl 5-(2-nitro-4-piperidin-1-ylsulfonyl-phenoxy)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(2-nitro-4-piperidin-1-ylsulfonyl-phenoxy)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-nitro-4-(1-piperidylsulfonyl)phenoxy]benzene-1,3-dicarboxylate CAS Name: 5-[2-nitro-4-(1-piperidinylsulfonyl)phenoxy]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(2-nitro-4-piperidin-1-ylsulfonylphenoxy)benzene-1,3-dicarboxylate Traditional Name: 5-(2-nitro-4-piperidinosulfonyl-phenoxy)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H22N2O9S MolecularWeight: 478.47238

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H22N2O9S/c1-30-20(24)14-10-15(21(25)31-2)12-16(11-14)32-19-7-6-17(13-18(19)23(26)27)33(28,29)22-8-4-3-5-9-22/h6-7,10-13H,3-5,8-9H2,1-2H3