2-[(1-ethylsulfonylpiperidin-4-yl)carbonylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[(1-ethylsulfonylpiperidin-4-yl)carbonylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-3-hydroxy-butanoic acid CAS Name: 2-[[(1-ethylsulfonyl-4-piperidinyl)-oxomethyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-3-hydroxybutanoic acid Traditional Name: 2-[(1-esylisonipecotoyl)amino]-3-hydroxy-butyric acid Formula: C12H22N2O6S MolecularWeight: 322.37788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)NC(C(C)O)C(=O)O

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)NC(C(C)O)C(=O)O

InChI

InChI=1S/C12H22N2O6S/c1-3-21(19,20)14-6-4-9(5-7-14)11(16)13-10(8(2)15)12(17)18/h8-10,15H,3-7H2,1-2H3,(H,13,16)(H,17,18)