2-[[(3S)-1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[(3S)-1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[(3S)-1-(benzenesulfonyl)piperidine-3-carbonyl]amino]acetic acid CAS Name: 2-[[[(3S)-1-(benzenesulfonyl)-3-piperidinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[(3S)-1-(benzenesulfonyl)piperidine-3-carbonyl]amino]acetic acid Traditional Name: 2-[[(3S)-1-besylnipecotoyl]amino]acetic acid Formula: C14H18N2O5S MolecularWeight: 326.36812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NCC(=O)O

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NCC(=O)O

InChI

InChI=1S/C14H18N2O5S/c17-13(18)9-15-14(19)11-5-4-8-16(10-11)22(20,21)12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2,(H,15,19)(H,17,18)/t11-/m0/s1