2-methyl-5-(2-piperidin-1-ylethylsulfonyl)benzoic acid

Systemtic Name: 2-methyl-5-(2-piperidin-1-ylethylsulfonyl)benzoic acid Openeye Name: 2-methyl-5-[2-(1-piperidyl)ethylsulfonyl]benzoic acid CAS Name: 2-methyl-5-[2-(1-piperidinyl)ethylsulfonyl]benzoic acid IUPAC Name: 2-methyl-5-(2-piperidin-1-ylethylsulfonyl)benzoic acid Traditional Name: 2-methyl-5-(2-piperidinoethylsulfonyl)benzoic acid Formula: C15H21NO4S MolecularWeight: 311.39654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)CCN2CCCCC2)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)CCN2CCCCC2)C(=O)O

InChI

InChI=1S/C15H21NO4S/c1-12-5-6-13(11-14(12)15(17)18)21(19,20)10-9-16-7-3-2-4-8-16/h5-6,11H,2-4,7-10H2,1H3,(H,17,18)