methyl 4-chloranyl-3-(3-oxidanylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: methyl 4-chloranyl-3-(3-oxidanylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: methyl 4-chloro-3-[(3-hydroxy-1-piperidyl)sulfonyl]benzoate CAS Name: 4-chloro-3-[(3-hydroxy-1-piperidinyl)sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-(3-hydroxypiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-chloro-3-(3-hydroxypiperidino)sulfonyl-benzoic acid methyl ester Formula: C13H16ClNO5S MolecularWeight: 333.78784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO5S/c1-20-13(17)9-4-5-11(14)12(7-9)21(18,19)15-6-2-3-10(16)8-15/h4-5,7,10,16H,2-3,6,8H2,1H3