ethyl 2-[4-(3-methylbutoxy)phenyl]sulfonyl-1-(phenylmethyl)piperidine-4-carboxylate

Systemtic Name: ethyl 2-[4-(3-methylbutoxy)phenyl]sulfonyl-1-(phenylmethyl)piperidine-4-carboxylate Openeye Name: ethyl 1-benzyl-2-(4-isopentyloxyphenyl)sulfonyl-piperidine-4-carboxylate CAS Name: 2-[4-(3-methylbutoxy)phenyl]sulfonyl-1-(phenylmethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-2-[4-(3-methylbutoxy)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-benzyl-2-(4-isoamoxyphenyl)sulfonyl-isonipecotic acid ethyl ester Formula: C26H35NO5S MolecularWeight: 473.6248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(C(C1)S(=O)(=O)C2=CC=C(C=C2)OCCC(C)C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CCN(C(C1)S(=O)(=O)C2=CC=C(C=C2)OCCC(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C26H35NO5S/c1-4-31-26(28)22-14-16-27(19-21-8-6-5-7-9-21)25(18-22)33(29,30)24-12-10-23(11-13-24)32-17-15-20(2)3/h5-13,20,22,25H,4,14-19H2,1-3H3