3-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-ynoic acid

Systemtic Name: 3-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-ynoic acid Openeye Name: 3-[4-(p-tolylsulfonylamino)phenyl]prop-2-ynoic acid CAS Name: 3-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-propynoic acid IUPAC Name: 3-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-ynoic acid Traditional Name: 3-[4-(tosylamino)phenyl]propiolic acid Formula: C16H13NO4S MolecularWeight: 315.34372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C#CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C#CC(=O)O

InChI

InChI=1S/C16H13NO4S/c1-12-2-9-15(10-3-12)22(20,21)17-14-7-4-13(5-8-14)6-11-16(18)19/h2-5,7-10,17H,1H3,(H,18,19)