2-[[(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]carbonylamino]ethanoate

Systemtic Name: 2-[[(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]carbonylamino]ethanoate Openeye Name: 2-[[(3S)-1-(4-acetamidophenyl)sulfonylpiperidine-3-carbonyl]amino]acetate CAS Name: 2-[[[(3S)-1-(4-acetamidophenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]acetate IUPAC Name: 2-[[(3S)-1-(4-acetamidophenyl)sulfonylpiperidine-3-carbonyl]amino]acetate Traditional Name: 2-[[(3S)-1-(4-acetamidophenyl)sulfonylnipecotoyl]amino]acetate Formula: C16H20N3O6S- MolecularWeight: 382.4115

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC(=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NCC(=O)[O-]

InChI

InChI=1S/C16H21N3O6S/c1-11(20)18-13-4-6-14(7-5-13)26(24,25)19-8-2-3-12(10-19)16(23)17-9-15(21)22/h4-7,12H,2-3,8-10H2,1H3,(H,17,23)(H,18,20)(H,21,22)/p-1/t12-/m0/s1