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

Systemtic Name: 3-[1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]sulfonylbenzoic acid Openeye Name: 3-[1-methyl-2-oxo-2-(prop-2-ynylamino)ethyl]sulfonylbenzoic acid CAS Name: 3-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]sulfonylbenzoic acid IUPAC Name: 3-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]sulfonylbenzoic acid Traditional Name: 3-[2-keto-1-methyl-2-(propargylamino)ethyl]sulfonylbenzoic acid Formula: C13H13NO5S MolecularWeight: 295.31102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO5S/c1-3-7-14-12(15)9(2)20(18,19)11-6-4-5-10(8-11)13(16)17/h1,4-6,8-9H,7H2,2H3,(H,14,15)(H,16,17)