3-[1-(ethylamino)-1-oxidanylidene-propan-2-yl]sulfonylbenzoic acid

Systemtic Name: 3-[1-(ethylamino)-1-oxidanylidene-propan-2-yl]sulfonylbenzoic acid Openeye Name: 3-[2-(ethylamino)-1-methyl-2-oxo-ethyl]sulfonylbenzoic acid CAS Name: 3-[1-(ethylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid IUPAC Name: 3-[1-(ethylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid Traditional Name: 3-[2-(ethylamino)-2-keto-1-methyl-ethyl]sulfonylbenzoic acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CCNC(=O)C(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C12H15NO5S/c1-3-13-11(14)8(2)19(17,18)10-6-4-5-9(7-10)12(15)16/h4-8H,3H2,1-2H3,(H,13,14)(H,15,16)