ethyl 4-(4-methoxyphenyl)sulfonyl-1-[(1E)-3-methylbuta-1,3-dienyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-(4-methoxyphenyl)sulfonyl-1-[(1E)-3-methylbuta-1,3-dienyl]piperidine-4-carboxylate Openeye Name: ethyl 4-(4-methoxyphenyl)sulfonyl-1-[(1E)-3-methylbuta-1,3-dienyl]piperidine-4-carboxylate CAS Name: 4-(4-methoxyphenyl)sulfonyl-1-[(1E)-3-methylbuta-1,3-dienyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxyphenyl)sulfonyl-1-[(1E)-3-methylbuta-1,3-dienyl]piperidine-4-carboxylate Traditional Name: 4-(4-methoxyphenyl)sulfonyl-1-[(1E)-3-methylbuta-1,3-dienyl]isonipecotic acid ethyl ester Formula: C20H27NO5S MolecularWeight: 393.49708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C=CC(=C)C)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)/C=C/C(=C)C)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C20H27NO5S/c1-5-26-19(22)20(11-14-21(15-12-20)13-10-16(2)3)27(23,24)18-8-6-17(25-4)7-9-18/h6-10,13H,2,5,11-12,14-15H2,1,3-4H3/b13-10+