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

Systemtic Name: 3-[[2-(aminocarbonylamino)-4-(methylamino)phenyl]diazenyl]-4-methyl-benzenesulfonic acid Openeye Name: 4-methyl-3-[4-(methylamino)-2-ureido-phenyl]azo-benzenesulfonic acid CAS Name: 3-[2-(carbamoylamino)-4-(methylamino)phenyl]azo-4-methylbenzenesulfonic acid IUPAC Name: 3-[[2-(carbamoylamino)-4-(methylamino)phenyl]diazenyl]-4-methylbenzenesulfonic acid Traditional Name: 4-methyl-3-[4-(methylamino)-2-ureido-phenyl]azo-besylic acid Formula: C15H17N5O4S MolecularWeight: 363.39158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N5O4S/c1-9-3-5-11(25(22,23)24)8-13(9)20-19-12-6-4-10(17-2)7-14(12)18-15(16)21/h3-8,17H,1-2H3,(H3,16,18,21)(H,22,23,24)