[4-(aminocarbonylamino)-3-azanyl-phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [4-(aminocarbonylamino)-3-azanyl-phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: (3-amino-4-ureido-phenyl) 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [3-amino-4-(carbamoylamino)phenyl] ester IUPAC Name: [3-amino-4-(carbamoylamino)phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid (3-amino-4-ureido-phenyl) ester Formula: C14H12F3N3O4S MolecularWeight: 375.32299

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC(=C(C=C2)NC(=O)N)N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC(=C(C=C2)NC(=O)N)N)C(F)(F)F

InChI

InChI=1S/C14H12F3N3O4S/c15-14(16,17)8-2-1-3-10(6-8)25(22,23)24-9-4-5-12(11(18)7-9)20-13(19)21/h1-7H,18H2,(H3,19,20,21)