N5,N7-bis(3-chloranyl-2-methyl-phenyl)-2-methyl-4-oxidanyl-1,3-benzoxazole-5,7-disulfonamide

Systemtic Name: N5,N7-bis(3-chloranyl-2-methyl-phenyl)-2-methyl-4-oxidanyl-1,3-benzoxazole-5,7-disulfonamide Openeye Name: N5,N7-bis(3-chloro-2-methyl-phenyl)-4-hydroxy-2-methyl-1,3-benzoxazole-5,7-disulfonamide CAS Name: N5,N7-bis(3-chloro-2-methylphenyl)-4-hydroxy-2-methyl-1,3-benzoxazole-5,7-disulfonamide IUPAC Name: 5-N,7-N-bis(3-chloro-2-methylphenyl)-4-hydroxy-2-methyl-1,3-benzoxazole-5,7-disulfonamide Traditional Name: N,N'-bis(3-chloro-2-methyl-phenyl)-4-hydroxy-2-methyl-1,3-benzoxazole-5,7-disulfonamide Formula: C22H19Cl2N3O6S2 MolecularWeight: 556.43876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NS(=O)(=O)C2=CC(=C(C3=C2OC(=N3)C)O)S(=O)(=O)NC4=C(C(=CC=C4)Cl)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NS(=O)(=O)C2=CC(=C(C3=C2OC(=N3)C)O)S(=O)(=O)NC4=C(C(=CC=C4)Cl)C

InChI

InChI=1S/C22H19Cl2N3O6S2/c1-11-14(23)6-4-8-16(11)26-34(29,30)18-10-19(22-20(21(18)28)25-13(3)33-22)35(31,32)27-17-9-5-7-15(24)12(17)2/h4-10,26-28H,1-3H3