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

Systemtic Name: methyl 4-[[3-chloranyl-4-(1-methylsulfonylpiperidin-4-yl)oxy-phenyl]carbonylamino]butanoate Openeye Name: methyl 4-[[3-chloro-4-[(1-methylsulfonyl-4-piperidyl)oxy]benzoyl]amino]butanoate CAS Name: 4-[[[3-chloro-4-[(1-methylsulfonyl-4-piperidinyl)oxy]phenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxybenzoyl]amino]butanoate Traditional Name: 4-[[3-chloro-4-[(1-mesyl-4-piperidyl)oxy]benzoyl]amino]butyric acid methyl ester Formula: C18H25ClN2O6S MolecularWeight: 432.9189

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN2O6S/c1-26-17(22)4-3-9-20-18(23)13-5-6-16(15(19)12-13)27-14-7-10-21(11-8-14)28(2,24)25/h5-6,12,14H,3-4,7-11H2,1-2H3,(H,20,23)