3-[(3,3-dimethyl-2-oxidanylidene-1H-indol-5-yl)sulfonylamino]propanoic acid

Systemtic Name: 3-[(3,3-dimethyl-2-oxidanylidene-1H-indol-5-yl)sulfonylamino]propanoic acid Openeye Name: 3-[(3,3-dimethyl-2-oxo-indolin-5-yl)sulfonylamino]propanoic acid CAS Name: 3-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)sulfonylamino]propanoic acid IUPAC Name: 3-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)sulfonylamino]propanoic acid Traditional Name: 3-[(2-keto-3,3-dimethyl-indolin-5-yl)sulfonylamino]propionic acid Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)S(=O)(=O)NCCC(=O)O)NC1=O)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)S(=O)(=O)NCCC(=O)O)NC1=O)C

InChI

InChI=1S/C13H16N2O5S/c1-13(2)9-7-8(3-4-10(9)15-12(13)18)21(19,20)14-6-5-11(16)17/h3-4,7,14H,5-6H2,1-2H3,(H,15,18)(H,16,17)