4-[[2-(aminocarbonylamino)-4-methyl-phenyl]diazenyl]-3-(trioxidanylsulfanyl)benzenesulfonic acid

Systemtic Name: 4-[[2-(aminocarbonylamino)-4-methyl-phenyl]diazenyl]-3-(trioxidanylsulfanyl)benzenesulfonic acid Openeye Name: 4-(4-methyl-2-ureido-phenyl)azo-3-(trioxidanylsulfanyl)benzenesulfonic acid CAS Name: 4-[2-(carbamoylamino)-4-methylphenyl]azo-3-(trioxidanylthio)benzenesulfonic acid IUPAC Name: 4-[[2-(carbamoylamino)-4-methylphenyl]diazenyl]-3-(trioxidanylsulfanyl)benzenesulfonic acid Traditional Name: 4-(4-methyl-2-ureido-phenyl)azo-3-(trioxidanylthio)besylic acid Formula: C14H14N4O7S2 MolecularWeight: 414.41356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)S(=O)(=O)O)SOOO)NC(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)S(=O)(=O)O)SOOO)NC(=O)N

InChI

InChI=1S/C14H14N4O7S2/c1-8-2-4-10(12(6-8)16-14(15)19)17-18-11-5-3-9(27(21,22)23)7-13(11)26-25-24-20/h2-7,20H,1H3,(H3,15,16,19)(H,21,22,23)