3-(2-piperidin-1-ylethylsulfonyl)benzoic acid

Systemtic Name: 3-(2-piperidin-1-ylethylsulfonyl)benzoic acid Openeye Name: 3-[2-(1-piperidyl)ethylsulfonyl]benzoic acid CAS Name: 3-[2-(1-piperidinyl)ethylsulfonyl]benzoic acid IUPAC Name: 3-(2-piperidin-1-ylethylsulfonyl)benzoic acid Traditional Name: 3-(2-piperidinoethylsulfonyl)benzoic acid Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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