4-(2-piperidin-1-ylethylsulfonyl)benzoic acid

Systemtic Name: 4-(2-piperidin-1-ylethylsulfonyl)benzoic acid Openeye Name: 4-[2-(1-piperidyl)ethylsulfonyl]benzoic acid CAS Name: 4-[2-(1-piperidinyl)ethylsulfonyl]benzoic acid IUPAC Name: 4-(2-piperidin-1-ylethylsulfonyl)benzoic acid Traditional Name: 4-(2-piperidinoethylsulfonyl)benzoic acid Formula: C14H19NO4S MolecularWeight: 297.36996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCS(=O)(=O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CCN(CC1)CCS(=O)(=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H19NO4S/c16-14(17)12-4-6-13(7-5-12)20(18,19)11-10-15-8-2-1-3-9-15/h4-7H,1-3,8-11H2,(H,16,17)