(2-chlorophenyl)methyl 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: (2-chlorophenyl)methyl 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Openeye Name: (2-chlorophenyl)methyl 4-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid (2-chlorophenyl)methyl ester IUPAC Name: (2-chlorophenyl)methyl 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(3S,5S)-3,5-dimethylpiperidino]sulfonylbenzoic acid (2-chlorobenzyl) ester Formula: C21H24ClNO4S MolecularWeight: 421.93756

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3Cl)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3Cl)C

InChI

InChI=1S/C21H24ClNO4S/c1-15-11-16(2)13-23(12-15)28(25,26)19-9-7-17(8-10-19)21(24)27-14-18-5-3-4-6-20(18)22/h3-10,15-16H,11-14H2,1-2H3/t15-,16-/m0/s1