(2S)-2-[[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbonylamino]propanoic acid

Systemtic Name: (2S)-2-[[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbonylamino]propanoic acid Openeye Name: (2S)-2-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]propanoic acid CAS Name: (2S)-2-[[[1-(4-methoxyphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]propanoic acid Traditional Name: (2S)-2-[[1-(4-methoxyphenyl)sulfonylnipecotoyl]amino]propionic acid Formula: C16H22N2O6S MolecularWeight: 370.42068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C16H22N2O6S/c1-11(16(20)21)17-15(19)12-4-3-9-18(10-12)25(22,23)14-7-5-13(24-2)6-8-14/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,17,19)(H,20,21)/t11-,12?/m0/s1