ethyl 1-butyl-4-[4-(3-methylbutoxy)phenyl]sulfonyl-piperidine-4-carboxylate

Systemtic Name: ethyl 1-butyl-4-[4-(3-methylbutoxy)phenyl]sulfonyl-piperidine-4-carboxylate Openeye Name: ethyl 1-butyl-4-(4-isopentyloxyphenyl)sulfonyl-piperidine-4-carboxylate CAS Name: 1-butyl-4-[4-(3-methylbutoxy)phenyl]sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-butyl-4-[4-(3-methylbutoxy)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-butyl-4-(4-isoamoxyphenyl)sulfonyl-isonipecotic acid ethyl ester Formula: C23H37NO5S MolecularWeight: 439.60858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H37NO5S/c1-5-7-15-24-16-13-23(14-17-24,22(25)28-6-2)30(26,27)21-10-8-20(9-11-21)29-18-12-19(3)4/h8-11,19H,5-7,12-18H2,1-4H3