ethyl 4-(4-butoxyphenyl)sulfonyl-1-butyl-piperidine-4-carboxylate

Systemtic Name: ethyl 4-(4-butoxyphenyl)sulfonyl-1-butyl-piperidine-4-carboxylate Openeye Name: ethyl 4-(4-butoxyphenyl)sulfonyl-1-butyl-piperidine-4-carboxylate CAS Name: 4-(4-butoxyphenyl)sulfonyl-1-butyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-butoxyphenyl)sulfonyl-1-butylpiperidine-4-carboxylate Traditional Name: 4-(4-butoxyphenyl)sulfonyl-1-butyl-isonipecotic acid ethyl ester Formula: C22H35NO5S MolecularWeight: 425.582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(CC1)(C(=O)OCC)S(=O)(=O)C2=CC=C(C=C2)OCCCC

Isomeric SMILES

CCCCN1CCC(CC1)(C(=O)OCC)S(=O)(=O)C2=CC=C(C=C2)OCCCC

InChI

InChI=1S/C22H35NO5S/c1-4-7-15-23-16-13-22(14-17-23,21(24)27-6-3)29(25,26)20-11-9-19(10-12-20)28-18-8-5-2/h9-12H,4-8,13-18H2,1-3H3