cyanomethyl 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-benzoate

Systemtic Name: cyanomethyl 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-benzoate Openeye Name: cyanomethyl 3-[(3,5-dimethyl-1-piperidyl)sulfonyl]-4-methoxy-benzoate CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-4-methoxybenzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzoate Traditional Name: 3-(3,5-dimethylpiperidino)sulfonyl-4-methoxy-benzoic acid cyanomethyl ester Formula: C17H22N2O5S MolecularWeight: 366.43198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC#N)OC)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC#N)OC)C

InChI

InChI=1S/C17H22N2O5S/c1-12-8-13(2)11-19(10-12)25(21,22)16-9-14(4-5-15(16)23-3)17(20)24-7-6-18/h4-5,9,12-13H,7-8,10-11H2,1-3H3