methyl 2-ethyl-3-methylsulfonyl-4-piperidin-1-yl-benzoate

Systemtic Name: methyl 2-ethyl-3-methylsulfonyl-4-piperidin-1-yl-benzoate Openeye Name: methyl 2-ethyl-3-methylsulfonyl-4-(1-piperidyl)benzoate CAS Name: 2-ethyl-3-methylsulfonyl-4-(1-piperidinyl)benzoic acid methyl ester IUPAC Name: methyl 2-ethyl-3-methylsulfonyl-4-piperidin-1-ylbenzoate Traditional Name: 2-ethyl-3-mesyl-4-piperidino-benzoic acid methyl ester Formula: C16H23NO4S MolecularWeight: 325.42312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1S(=O)(=O)C)N2CCCCC2)C(=O)OC

Isomeric SMILES

CCC1=C(C=CC(=C1S(=O)(=O)C)N2CCCCC2)C(=O)OC

InChI

InChI=1S/C16H23NO4S/c1-4-12-13(16(18)21-2)8-9-14(15(12)22(3,19)20)17-10-6-5-7-11-17/h8-9H,4-7,10-11H2,1-3H3