3-(2-diethylaminoethylsulfonyl)benzoic acid

Systemtic Name: 3-(2-diethylaminoethylsulfonyl)benzoic acid Openeye Name: 3-(2-diethylaminoethylsulfonyl)benzoic acid CAS Name: 3-(2-diethylaminoethylsulfonyl)benzoic acid IUPAC Name: 3-(2-diethylaminoethylsulfonyl)benzoic acid Traditional Name: 3-(2-diethylaminoethylsulfonyl)benzoic acid Formula: C13H19NO4S MolecularWeight: 285.35926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCS(=O)(=O)C1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CCN(CC)CCS(=O)(=O)C1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C13H19NO4S/c1-3-14(4-2)8-9-19(17,18)12-7-5-6-11(10-12)13(15)16/h5-7,10H,3-4,8-9H2,1-2H3,(H,15,16)