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

Systemtic Name: methyl 4-chloranyl-3-(4-oxidanylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: methyl 4-chloro-3-[(4-hydroxy-1-piperidyl)sulfonyl]benzoate CAS Name: 4-chloro-3-[(4-hydroxy-1-piperidinyl)sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-(4-hydroxypiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-chloro-3-(4-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)N2CCC(CC2)O

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCC(CC2)O

InChI

InChI=1S/C13H16ClNO5S/c1-20-13(17)9-2-3-11(14)12(8-9)21(18,19)15-6-4-10(16)5-7-15/h2-3,8,10,16H,4-7H2,1H3