methyl 2-chloranyl-5-methylsulfonyl-4-(3-oxidanylpiperidin-1-yl)benzoate

Systemtic Name: methyl 2-chloranyl-5-methylsulfonyl-4-(3-oxidanylpiperidin-1-yl)benzoate Openeye Name: methyl 2-chloro-4-(3-hydroxy-1-piperidyl)-5-methylsulfonyl-benzoate CAS Name: 2-chloro-4-(3-hydroxy-1-piperidinyl)-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-chloro-4-(3-hydroxypiperidin-1-yl)-5-methylsulfonylbenzoate Traditional Name: 2-chloro-4-(3-hydroxypiperidino)-5-mesyl-benzoic acid methyl ester Formula: C14H18ClNO5S MolecularWeight: 347.81442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1Cl)N2CCCC(C2)O)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1Cl)N2CCCC(C2)O)S(=O)(=O)C

InChI

InChI=1S/C14H18ClNO5S/c1-21-14(18)10-6-13(22(2,19)20)12(7-11(10)15)16-5-3-4-9(17)8-16/h6-7,9,17H,3-5,8H2,1-2H3