4-(3-methoxypropylamino)-3-methylsulfonyl-benzoic acid

Systemtic Name: 4-(3-methoxypropylamino)-3-methylsulfonyl-benzoic acid Openeye Name: 4-(3-methoxypropylamino)-3-methylsulfonyl-benzoic acid CAS Name: 4-(3-methoxypropylamino)-3-methylsulfonylbenzoic acid IUPAC Name: 4-(3-methoxypropylamino)-3-methylsulfonylbenzoic acid Traditional Name: 3-mesyl-4-(3-methoxypropylamino)benzoic acid Formula: C12H17NO5S MolecularWeight: 287.33208

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)C

Isomeric SMILES

COCCCNC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)C

InChI

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