4-azanyl-2-[(4-ethylphenyl)sulfonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[(4-ethylphenyl)sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[(4-ethylphenyl)sulfonylamino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[(4-ethylphenyl)sulfonylamino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[(4-ethylphenyl)sulfonylamino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[(4-ethylphenyl)sulfonylamino]-4-keto-butyric acid Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C12H16N2O5S/c1-2-8-3-5-9(6-4-8)20(18,19)14-10(12(16)17)7-11(13)15/h3-6,10,14H,2,7H2,1H3,(H2,13,15)(H,16,17)