2-[(1-ethylsulfonylpiperidin-4-yl)carbonyl-methyl-amino]benzoic acid

Systemtic Name: 2-[(1-ethylsulfonylpiperidin-4-yl)carbonyl-methyl-amino]benzoic acid Openeye Name: 2-[(1-ethylsulfonylpiperidine-4-carbonyl)-methyl-amino]benzoic acid CAS Name: 2-[[(1-ethylsulfonyl-4-piperidinyl)-oxomethyl]-methylamino]benzoic acid IUPAC Name: 2-[(1-ethylsulfonylpiperidine-4-carbonyl)-methylamino]benzoic acid Traditional Name: 2-[(1-esylisonipecotoyl)-methyl-amino]benzoic acid Formula: C16H22N2O5S MolecularWeight: 354.42128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)N(C)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)N(C)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H22N2O5S/c1-3-24(22,23)18-10-8-12(9-11-18)15(19)17(2)14-7-5-4-6-13(14)16(20)21/h4-7,12H,3,8-11H2,1-2H3,(H,20,21)