(2-methoxy-2-oxidanylidene-ethyl) 4-chloranyl-3-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-benzoate

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl) 4-chloranyl-3-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-benzoate Openeye Name: (2-methoxy-2-oxo-ethyl) 3-[(4-benzyl-1-piperidyl)sulfonyl]-4-chloro-benzoate CAS Name: 4-chloro-3-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]benzoic acid (2-methoxy-2-oxoethyl) ester IUPAC Name: (2-methoxy-2-oxoethyl) 3-(4-benzylpiperidin-1-yl)sulfonyl-4-chlorobenzoate Traditional Name: 3-(4-benzylpiperidino)sulfonyl-4-chloro-benzoic acid (2-keto-2-methoxy-ethyl) ester Formula: C22H24ClNO6S MolecularWeight: 465.94706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H24ClNO6S/c1-29-21(25)15-30-22(26)18-7-8-19(23)20(14-18)31(27,28)24-11-9-17(10-12-24)13-16-5-3-2-4-6-16/h2-8,14,17H,9-13,15H2,1H3