4-[[2-methyl-5-(phenylsulfonyl)phenyl]sulfonylamino]benzoic acid

Systemtic Name: 4-[[2-methyl-5-(phenylsulfonyl)phenyl]sulfonylamino]benzoic acid Openeye Name: 4-[[5-(benzenesulfonyl)-2-methyl-phenyl]sulfonylamino]benzoic acid CAS Name: 4-[[5-(benzenesulfonyl)-2-methylphenyl]sulfonylamino]benzoic acid IUPAC Name: 4-[[5-(benzenesulfonyl)-2-methylphenyl]sulfonylamino]benzoic acid Traditional Name: 4-[(5-besyl-2-methyl-phenyl)sulfonylamino]benzoic acid Formula: C20H17NO6S2 MolecularWeight: 431.48208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H17NO6S2/c1-14-7-12-18(28(24,25)17-5-3-2-4-6-17)13-19(14)29(26,27)21-16-10-8-15(9-11-16)20(22)23/h2-13,21H,1H3,(H,22,23)