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

Systemtic Name: 3-[3-[2-[(4-methylphenyl)sulfonylamino]ethyl]indol-1-yl]propanoic acid Openeye Name: 3-[3-[2-(p-tolylsulfonylamino)ethyl]indol-1-yl]propanoic acid CAS Name: 3-[3-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1-indolyl]propanoic acid IUPAC Name: 3-[3-[2-[(4-methylphenyl)sulfonylamino]ethyl]indol-1-yl]propanoic acid Traditional Name: 3-[3-[2-(tosylamino)ethyl]indol-1-yl]propionic acid Formula: C20H22N2O4S MolecularWeight: 386.46468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC2=CN(C3=CC=CC=C32)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC2=CN(C3=CC=CC=C32)CCC(=O)O

InChI

InChI=1S/C20H22N2O4S/c1-15-6-8-17(9-7-15)27(25,26)21-12-10-16-14-22(13-11-20(23)24)19-5-3-2-4-18(16)19/h2-9,14,21H,10-13H2,1H3,(H,23,24)