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

Systemtic Name: methyl 2-ethyl-3-methylsulfonyl-4-(3-oxidanylpiperidin-1-yl)benzoate Openeye Name: methyl 2-ethyl-4-(3-hydroxy-1-piperidyl)-3-methylsulfonyl-benzoate CAS Name: 2-ethyl-4-(3-hydroxy-1-piperidinyl)-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-ethyl-4-(3-hydroxypiperidin-1-yl)-3-methylsulfonylbenzoate Traditional Name: 2-ethyl-4-(3-hydroxypiperidino)-3-mesyl-benzoic acid methyl ester Formula: C16H23NO5S MolecularWeight: 341.42252

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1S(=O)(=O)C)N2CCCC(C2)O)C(=O)OC

Isomeric SMILES

CCC1=C(C=CC(=C1S(=O)(=O)C)N2CCCC(C2)O)C(=O)OC

InChI

InChI=1S/C16H23NO5S/c1-4-12-13(16(19)22-2)7-8-14(15(12)23(3,20)21)17-9-5-6-11(18)10-17/h7-8,11,18H,4-6,9-10H2,1-3H3