tert-butyl 4-(4-but-2-ynoxyphenyl)sulfonylpiperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(4-but-2-ynoxyphenyl)sulfonylpiperidine-1-carboxylate Openeye Name: tert-butyl 4-(4-but-2-ynoxyphenyl)sulfonylpiperidine-1-carboxylate CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-but-2-ynoxyphenyl)sulfonylpiperidine-1-carboxylate Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonylpiperidine-1-carboxylic acid tert-butyl ester Formula: C20H27NO5S MolecularWeight: 393.49708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H27NO5S/c1-5-6-15-25-16-7-9-17(10-8-16)27(23,24)18-11-13-21(14-12-18)19(22)26-20(2,3)4/h7-10,18H,11-15H2,1-4H3