[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl] thiophene-2-sulfonate

Systemtic Name: [4-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl] thiophene-2-sulfonate Openeye Name: [4-[methyl(p-tolylsulfonyl)amino]phenyl] thiophene-2-sulfonate CAS Name: 2-thiophenesulfonic acid [4-[methyl-(4-methylphenyl)sulfonylamino]phenyl] ester IUPAC Name: [4-[methyl-(4-methylphenyl)sulfonylamino]phenyl] thiophene-2-sulfonate Traditional Name: thiophene-2-sulfonic acid [4-[methyl(tosyl)amino]phenyl] ester Formula: C18H17NO5S3 MolecularWeight: 423.52628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H17NO5S3/c1-14-5-11-17(12-6-14)26(20,21)19(2)15-7-9-16(10-8-15)24-27(22,23)18-4-3-13-25-18/h3-13H,1-2H3