3-(aminocarbonylamino)-5-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonic acid

Systemtic Name: 3-(aminocarbonylamino)-5-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonic acid Openeye Name: 5-[4-(trifluoromethyl)phenyl]-3-ureido-thiophene-2-sulfonic acid CAS Name: 3-(carbamoylamino)-5-[4-(trifluoromethyl)phenyl]-2-thiophenesulfonic acid IUPAC Name: 3-(carbamoylamino)-5-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonic acid Traditional Name: 5-[4-(trifluoromethyl)phenyl]-3-ureido-thiophene-2-sulfonic acid Formula: C12H9F3N2O4S2 MolecularWeight: 366.33607

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=C(S2)S(=O)(=O)O)NC(=O)N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=C(S2)S(=O)(=O)O)NC(=O)N)C(F)(F)F

InChI

InChI=1S/C12H9F3N2O4S2/c13-12(14,15)7-3-1-6(2-4-7)9-5-8(17-11(16)18)10(22-9)23(19,20)21/h1-5H,(H3,16,17,18)(H,19,20,21)