3-[1-[(4-methylphenyl)sulfonylamino]indol-2-yl]propanoic acid

Systemtic Name: 3-[1-[(4-methylphenyl)sulfonylamino]indol-2-yl]propanoic acid Openeye Name: 3-[1-(p-tolylsulfonylamino)indol-2-yl]propanoic acid CAS Name: 3-[1-[(4-methylphenyl)sulfonylamino]-2-indolyl]propanoic acid IUPAC Name: 3-[1-[(4-methylphenyl)sulfonylamino]indol-2-yl]propanoic acid Traditional Name: 3-[1-(tosylamino)indol-2-yl]propionic acid Formula: C18H18N2O4S MolecularWeight: 358.41152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NN2C3=CC=CC=C3C=C2CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NN2C3=CC=CC=C3C=C2CCC(=O)O

InChI

InChI=1S/C18H18N2O4S/c1-13-6-9-16(10-7-13)25(23,24)19-20-15(8-11-18(21)22)12-14-4-2-3-5-17(14)20/h2-7,9-10,12,19H,8,11H2,1H3,(H,21,22)