[(1R)-1-(2-chlorophenyl)ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [(1R)-1-(2-chlorophenyl)ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [(1R)-1-(2-chlorophenyl)ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [(1R)-1-(2-chlorophenyl)ethyl] ester IUPAC Name: [(1R)-1-(2-chlorophenyl)ethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [(1R)-1-(2-chlorophenyl)ethyl] ester Formula: C21H24ClNO4S MolecularWeight: 421.93756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C2=CC=CC=C2Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O[C@H](C)C2=CC=CC=C2Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H24ClNO4S/c1-15-10-11-17(14-20(15)28(25,26)23-12-6-3-7-13-23)21(24)27-16(2)18-8-4-5-9-19(18)22/h4-5,8-11,14,16H,3,6-7,12-13H2,1-2H3/t16-/m1/s1