4-ethyl-3-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfonyl-benzoic acid

Systemtic Name: 4-ethyl-3-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfonyl-benzoic acid Openeye Name: 4-ethyl-3-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfonyl-benzoic acid CAS Name: 4-ethyl-3-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfonylbenzoic acid IUPAC Name: 4-ethyl-3-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfonylbenzoic acid Traditional Name: 4-ethyl-3-[2-keto-2-(propargylamino)ethyl]sulfonyl-benzoic acid Formula: C14H15NO5S MolecularWeight: 309.3376

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC(=O)NCC#C

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC(=O)NCC#C

InChI

InChI=1S/C14H15NO5S/c1-3-7-15-13(16)9-21(19,20)12-8-11(14(17)18)6-5-10(12)4-2/h1,5-6,8H,4,7,9H2,2H3,(H,15,16)(H,17,18)