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

Systemtic Name: O1-tert-butyl O4-methyl 4-(4-but-2-ynoxyphenyl)sulfonylpiperidine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-methyl 4-(4-but-2-ynoxyphenyl)sulfonylpiperidine-1,4-dicarboxylate CAS Name: 4-(4-but-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-but-2-ynoxyphenyl)sulfonylpiperidine-1,4-dicarboxylate Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonylpiperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-methyl ester Formula: C22H29NO7S MolecularWeight: 451.53316

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)C(=O)OC(C)(C)C)C(=O)OC

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)C(=O)OC(C)(C)C)C(=O)OC

InChI

InChI=1S/C22H29NO7S/c1-6-7-16-29-17-8-10-18(11-9-17)31(26,27)22(19(24)28-5)12-14-23(15-13-22)20(25)30-21(2,3)4/h8-11H,12-16H2,1-5H3