2-(4-cyanophenoxy)ethyl 4-chloranyl-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzoate

Systemtic Name: 2-(4-cyanophenoxy)ethyl 4-chloranyl-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: 2-(4-cyanophenoxy)ethyl 4-chloro-3-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-chloro-3-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]benzoic acid 2-(4-cyanophenoxy)ethyl ester IUPAC Name: 2-(4-cyanophenoxy)ethyl 4-chloro-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-chloro-3-[(3S)-3-methylpiperidino]sulfonyl-benzoic acid 2-(4-cyanophenoxy)ethyl ester Formula: C22H23ClN2O5S MolecularWeight: 462.94642

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCOC3=CC=C(C=C3)C#N)Cl

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCOC3=CC=C(C=C3)C#N)Cl

InChI

InChI=1S/C22H23ClN2O5S/c1-16-3-2-10-25(15-16)31(27,28)21-13-18(6-9-20(21)23)22(26)30-12-11-29-19-7-4-17(14-24)5-8-19/h4-9,13,16H,2-3,10-12,15H2,1H3/t16-/m0/s1