O1-tert-butyl O3-ethyl 4-(4-hydroxyphenyl)sulfonylpiperazine-1,3-dicarboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)O)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)O)C(=O)OC(C)(C)C

InChI

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