2-(2-morpholin-4-ylcarbonyl-4-piperidin-1-ylsulfonyl-phenyl)sulfanylethanoic acid

Systemtic Name: 2-(2-morpholin-4-ylcarbonyl-4-piperidin-1-ylsulfonyl-phenyl)sulfanylethanoic acid Openeye Name: 2-[2-(morpholine-4-carbonyl)-4-(1-piperidylsulfonyl)phenyl]sulfanylacetic acid CAS Name: 2-[[2-[4-morpholinyl(oxo)methyl]-4-(1-piperidinylsulfonyl)phenyl]thio]acetic acid IUPAC Name: 2-[2-(morpholine-4-carbonyl)-4-piperidin-1-ylsulfonylphenyl]sulfanylacetic acid Traditional Name: 2-[[2-(morpholine-4-carbonyl)-4-piperidinosulfonyl-phenyl]thio]acetic acid Formula: C18H24N2O6S2 MolecularWeight: 428.52296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SCC(=O)O)C(=O)N3CCOCC3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SCC(=O)O)C(=O)N3CCOCC3

InChI

InChI=1S/C18H24N2O6S2/c21-17(22)13-27-16-5-4-14(28(24,25)20-6-2-1-3-7-20)12-15(16)18(23)19-8-10-26-11-9-19/h4-5,12H,1-3,6-11,13H2,(H,21,22)