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

Systemtic Name: 3-[2-(aminocarbonylamino)-2-oxidanylidene-ethyl]sulfonyl-4-ethyl-benzoic acid Openeye Name: 4-ethyl-3-(2-oxo-2-ureido-ethyl)sulfonyl-benzoic acid CAS Name: 3-[2-(carbamoylamino)-2-oxoethyl]sulfonyl-4-ethylbenzoic acid IUPAC Name: 3-[2-(carbamoylamino)-2-oxoethyl]sulfonyl-4-ethylbenzoic acid Traditional Name: 4-ethyl-3-(2-keto-2-ureido-ethyl)sulfonyl-benzoic acid Formula: C12H14N2O6S MolecularWeight: 314.31436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O6S/c1-2-7-3-4-8(11(16)17)5-9(7)21(19,20)6-10(15)14-12(13)18/h3-5H,2,6H2,1H3,(H,16,17)(H3,13,14,15,18)