(4-ethylphenyl) (3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: (4-ethylphenyl) (3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate Openeye Name: (4-ethylphenyl) (3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate CAS Name: (3S)-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxylic acid (4-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) (3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate Traditional Name: (3S)-1-(4-methoxyphenyl)sulfonylnipecotic acid (4-ethylphenyl) ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC1=CC=C(C=C1)OC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25NO5S/c1-3-16-6-8-19(9-7-16)27-21(23)17-5-4-14-22(15-17)28(24,25)20-12-10-18(26-2)11-13-20/h6-13,17H,3-5,14-15H2,1-2H3/t17-/m0/s1