O1-tert-butyl O4-methyl 4-(4-prop-2-ynoxyphenyl)sulfonylpiperidine-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-methyl 4-(4-prop-2-ynoxyphenyl)sulfonylpiperidine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-methyl 4-(4-prop-2-ynoxyphenyl)sulfonylpiperidine-1,4-dicarboxylate CAS Name: 4-(4-prop-2-ynoxyphenyl)sulfonylpiperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-methyl ester IUPAC Name: 1-O-tert-butyl 4-O-methyl 4-(4-prop-2-ynoxyphenyl)sulfonylpiperidine-1,4-dicarboxylate Traditional Name: 4-(4-propargyloxyphenyl)sulfonylpiperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-methyl ester Formula: C21H27NO7S MolecularWeight: 437.50658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)OCC#C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)OCC#C

InChI

InChI=1S/C21H27NO7S/c1-6-15-28-16-7-9-17(10-8-16)30(25,26)21(18(23)27-5)11-13-22(14-12-21)19(24)29-20(2,3)4/h1,7-10H,11-15H2,2-5H3