2-bromanyl-5-[1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]sulfonyl-benzoic acid

Systemtic Name: 2-bromanyl-5-[1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]sulfonyl-benzoic acid Openeye Name: 2-bromo-5-[1-methyl-2-oxo-2-(prop-2-ynylamino)ethyl]sulfonyl-benzoic acid CAS Name: 2-bromo-5-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]sulfonylbenzoic acid IUPAC Name: 2-bromo-5-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]sulfonylbenzoic acid Traditional Name: 2-bromo-5-[2-keto-1-methyl-2-(propargylamino)ethyl]sulfonyl-benzoic acid Formula: C13H12BrNO5S MolecularWeight: 374.20708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC#C)S(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)O

Isomeric SMILES

CC(C(=O)NCC#C)S(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)O

InChI

InChI=1S/C13H12BrNO5S/c1-3-6-15-12(16)8(2)21(19,20)9-4-5-11(14)10(7-9)13(17)18/h1,4-5,7-8H,6H2,2H3,(H,15,16)(H,17,18)