O1-tert-butyl O3-ethyl 4-(4-but-2-ynoxyphenyl)sulfonylpiperazine-1,3-dicarboxylate

Systemtic Name: O1-tert-butyl O3-ethyl 4-(4-but-2-ynoxyphenyl)sulfonylpiperazine-1,3-dicarboxylate Openeye Name: O1-tert-butyl O3-ethyl 4-(4-but-2-ynoxyphenyl)sulfonylpiperazine-1,3-dicarboxylate CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonylpiperazine-1,3-dicarboxylic acid O1-tert-butyl ester O3-ethyl ester IUPAC Name: 1-O-tert-butyl 3-O-ethyl 4-(4-but-2-ynoxyphenyl)sulfonylpiperazine-1,3-dicarboxylate Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonylpiperazine-1,3-dicarboxylic acid O1-tert-butyl ester O3-ethyl ester Formula: C22H30N2O7S MolecularWeight: 466.5478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O7S/c1-6-8-15-30-17-9-11-18(12-10-17)32(27,28)24-14-13-23(21(26)31-22(3,4)5)16-19(24)20(25)29-7-2/h9-12,19H,7,13-16H2,1-5H3