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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

InChI

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