4-chloranyl-6-[(4-methylphenyl)sulfonylamino]benzene-1,3-disulfonamide

Systemtic Name: 4-chloranyl-6-[(4-methylphenyl)sulfonylamino]benzene-1,3-disulfonamide Openeye Name: 4-chloro-6-(p-tolylsulfonylamino)benzene-1,3-disulfonamide CAS Name: 4-chloro-6-[(4-methylphenyl)sulfonylamino]benzene-1,3-disulfonamide IUPAC Name: 4-chloro-6-[(4-methylphenyl)sulfonylamino]benzene-1,3-disulfonamide Traditional Name: 4-chloro-6-(tosylamino)benzene-1,3-disulfonamide Formula: C13H14ClN3O6S3 MolecularWeight: 439.91476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2S(=O)(=O)N)S(=O)(=O)N)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2S(=O)(=O)N)S(=O)(=O)N)Cl

InChI

InChI=1S/C13H14ClN3O6S3/c1-8-2-4-9(5-3-8)26(22,23)17-11-6-10(14)12(24(15,18)19)7-13(11)25(16,20)21/h2-7,17H,1H3,(H2,15,18,19)(H2,16,20,21)