5-[[2-methyl-5-(methylsulfonylamino)phenyl]sulfonyl-phenyl-amino]thiophene-2-carboxylic acid

Systemtic Name: 5-[[2-methyl-5-(methylsulfonylamino)phenyl]sulfonyl-phenyl-amino]thiophene-2-carboxylic acid Openeye Name: 5-(N-[5-(methanesulfonamido)-2-methyl-phenyl]sulfonylanilino)thiophene-2-carboxylic acid CAS Name: 5-(N-[5-(methanesulfonamido)-2-methylphenyl]sulfonylanilino)-2-thiophenecarboxylic acid IUPAC Name: 5-(N-[5-(methanesulfonamido)-2-methylphenyl]sulfonylanilino)thiophene-2-carboxylic acid Traditional Name: 5-(N-[5-(methanesulfonamido)-2-methyl-phenyl]sulfonylanilino)-2-thenoic acid Formula: C19H18N2O6S3 MolecularWeight: 466.55102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C)S(=O)(=O)N(C2=CC=CC=C2)C3=CC=C(S3)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C)S(=O)(=O)N(C2=CC=CC=C2)C3=CC=C(S3)C(=O)O

InChI

InChI=1S/C19H18N2O6S3/c1-13-8-9-14(20-29(2,24)25)12-17(13)30(26,27)21(15-6-4-3-5-7-15)18-11-10-16(28-18)19(22)23/h3-12,20H,1-2H3,(H,22,23)