[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfonylpropanoate

Systemtic Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfonylpropanoate Openeye Name: [2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl] 3-(4-chlorophenyl)sulfonylpropanoate CAS Name: 3-(4-chlorophenyl)sulfonylpropanoic acid [2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate Traditional Name: 3-(4-chlorophenyl)sulfonylpropionic acid [2-keto-2-[(3S)-3-methylpiperidino]ethyl] ester Formula: C17H22ClNO5S MolecularWeight: 387.87828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H22ClNO5S/c1-13-3-2-9-19(11-13)16(20)12-24-17(21)8-10-25(22,23)15-6-4-14(18)5-7-15/h4-7,13H,2-3,8-12H2,1H3/t13-/m0/s1