4-[1-(butylamino)-1-oxidanylidene-propan-2-yl]sulfonylbenzoic acid

Systemtic Name: 4-[1-(butylamino)-1-oxidanylidene-propan-2-yl]sulfonylbenzoic acid Openeye Name: 4-[2-(butylamino)-1-methyl-2-oxo-ethyl]sulfonylbenzoic acid CAS Name: 4-[1-(butylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid IUPAC Name: 4-[1-(butylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid Traditional Name: 4-[2-(butylamino)-2-keto-1-methyl-ethyl]sulfonylbenzoic acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO5S/c1-3-4-9-15-13(16)10(2)21(19,20)12-7-5-11(6-8-12)14(17)18/h5-8,10H,3-4,9H2,1-2H3,(H,15,16)(H,17,18)