methyl 3-methylsulfonyl-4-(2-oxidanylpropylamino)benzoate

Systemtic Name: methyl 3-methylsulfonyl-4-(2-oxidanylpropylamino)benzoate Openeye Name: methyl 4-(2-hydroxypropylamino)-3-methylsulfonyl-benzoate CAS Name: 4-(2-hydroxypropylamino)-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-(2-hydroxypropylamino)-3-methylsulfonylbenzoate Traditional Name: 4-(2-hydroxypropylamino)-3-mesyl-benzoic acid methyl ester Formula: C12H17NO5S MolecularWeight: 287.33208

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)C)O

Isomeric SMILES

CC(CNC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)C)O

InChI

InChI=1S/C12H17NO5S/c1-8(14)7-13-10-5-4-9(12(15)18-2)6-11(10)19(3,16)17/h4-6,8,13-14H,7H2,1-3H3