O3-methyl O1-(pyridin-3-ylmethyl) 4-(4-methoxyphenyl)sulfonylpiperazine-1,3-dicarboxylate

Systemtic Name: O3-methyl O1-(pyridin-3-ylmethyl) 4-(4-methoxyphenyl)sulfonylpiperazine-1,3-dicarboxylate Openeye Name: O3-methyl O1-(3-pyridylmethyl) 4-(4-methoxyphenyl)sulfonylpiperazine-1,3-dicarboxylate CAS Name: 4-(4-methoxyphenyl)sulfonylpiperazine-1,3-dicarboxylic acid O3-methyl ester O1-(3-pyridinylmethyl) ester IUPAC Name: 3-O-methyl 1-O-(pyridin-3-ylmethyl) 4-(4-methoxyphenyl)sulfonylpiperazine-1,3-dicarboxylate Traditional Name: 4-(4-methoxyphenyl)sulfonylpiperazine-1,3-dicarboxylic acid O3-methyl ester O1-(3-pyridylmethyl) ester Formula: C20H23N3O7S MolecularWeight: 449.47752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)OC)C(=O)OCC3=CN=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)OC)C(=O)OCC3=CN=CC=C3

InChI

InChI=1S/C20H23N3O7S/c1-28-16-5-7-17(8-6-16)31(26,27)23-11-10-22(13-18(23)19(24)29-2)20(25)30-14-15-4-3-9-21-12-15/h3-9,12,18H,10-11,13-14H2,1-2H3