O1-tert-butyl O3-methyl 4-(4-methoxyphenyl)sulfonylpiperazine-1,3-dicarboxylate

Systemtic Name: O1-tert-butyl O3-methyl 4-(4-methoxyphenyl)sulfonylpiperazine-1,3-dicarboxylate Openeye Name: O1-tert-butyl O3-methyl 4-(4-methoxyphenyl)sulfonylpiperazine-1,3-dicarboxylate CAS Name: 4-(4-methoxyphenyl)sulfonylpiperazine-1,3-dicarboxylic acid O1-tert-butyl ester O3-methyl ester IUPAC Name: 1-O-tert-butyl 3-O-methyl 4-(4-methoxyphenyl)sulfonylpiperazine-1,3-dicarboxylate Traditional Name: 4-(4-methoxyphenyl)sulfonylpiperazine-1,3-dicarboxylic acid O1-tert-butyl ester O3-methyl ester Formula: C18H26N2O7S MolecularWeight: 414.47324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H26N2O7S/c1-18(2,3)27-17(22)19-10-11-20(15(12-19)16(21)26-5)28(23,24)14-8-6-13(25-4)7-9-14/h6-9,15H,10-12H2,1-5H3