methyl 3-[[3-chloranyl-4-(1-methylsulfonylpiperidin-4-yl)oxy-phenyl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[3-chloranyl-4-(1-methylsulfonylpiperidin-4-yl)oxy-phenyl]carbonylamino]propanoate Openeye Name: methyl 3-[[3-chloro-4-[(1-methylsulfonyl-4-piperidyl)oxy]benzoyl]amino]propanoate CAS Name: 3-[[[3-chloro-4-[(1-methylsulfonyl-4-piperidinyl)oxy]phenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxybenzoyl]amino]propanoate Traditional Name: 3-[[3-chloro-4-[(1-mesyl-4-piperidyl)oxy]benzoyl]amino]propionic acid methyl ester Formula: C17H23ClN2O6S MolecularWeight: 418.89232

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=O)C1=CC(=C(C=C1)OC2CCN(CC2)S(=O)(=O)C)Cl

Isomeric SMILES

COC(=O)CCNC(=O)C1=CC(=C(C=C1)OC2CCN(CC2)S(=O)(=O)C)Cl

InChI

InChI=1S/C17H23ClN2O6S/c1-25-16(21)5-8-19-17(22)12-3-4-15(14(18)11-12)26-13-6-9-20(10-7-13)27(2,23)24/h3-4,11,13H,5-10H2,1-2H3,(H,19,22)