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

Systemtic Name: (2S)-2-[[(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]carbonylamino]-2-phenyl-ethanoate Openeye Name: (2S)-2-[[(3S)-1-(4-acetamidophenyl)sulfonylpiperidine-3-carbonyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[[(3S)-1-(4-acetamidophenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-2-phenylacetate IUPAC Name: (2S)-2-[[(3S)-1-(4-acetamidophenyl)sulfonylpiperidine-3-carbonyl]amino]-2-phenylacetate Traditional Name: (2S)-2-[[(3S)-1-(4-acetamidophenyl)sulfonylnipecotoyl]amino]-2-phenyl-acetate Formula: C22H24N3O6S- MolecularWeight: 458.50746

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)NC(C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)N[C@@H](C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C22H25N3O6S/c1-15(26)23-18-9-11-19(12-10-18)32(30,31)25-13-5-8-17(14-25)21(27)24-20(22(28)29)16-6-3-2-4-7-16/h2-4,6-7,9-12,17,20H,5,8,13-14H2,1H3,(H,23,26)(H,24,27)(H,28,29)/p-1/t17-,20-/m0/s1