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

Systemtic Name: (E)-3-[3-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-(p-tolylsulfonylamino)phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-[(4-methylphenyl)sulfonylamino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-(tosylamino)phenyl]acrylic acid Formula: C16H15NO4S MolecularWeight: 317.3596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO4S/c1-12-5-8-15(9-6-12)22(20,21)17-14-4-2-3-13(11-14)7-10-16(18)19/h2-11,17H,1H3,(H,18,19)/b10-7+