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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OCCC(C)C

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OCCC(C)C

InChI

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