3-[2-[(4-fluorophenyl)sulfonylamino]-3-(imidazol-1-ylmethyl)indol-1-yl]propanoic acid

Systemtic Name: 3-[2-[(4-fluorophenyl)sulfonylamino]-3-(imidazol-1-ylmethyl)indol-1-yl]propanoic acid Openeye Name: 3-[2-[(4-fluorophenyl)sulfonylamino]-3-(imidazol-1-ylmethyl)indol-1-yl]propanoic acid CAS Name: 3-[2-[(4-fluorophenyl)sulfonylamino]-3-(1-imidazolylmethyl)-1-indolyl]propanoic acid IUPAC Name: 3-[2-[(4-fluorophenyl)sulfonylamino]-3-(imidazol-1-ylmethyl)indol-1-yl]propanoic acid Traditional Name: 3-[2-[(4-fluorophenyl)sulfonylamino]-3-(imidazol-1-ylmethyl)indol-1-yl]propionic acid Formula: C21H19FN4O4S MolecularWeight: 442.463363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2CCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)F)CN4C=CN=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2CCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)F)CN4C=CN=C4

InChI

InChI=1S/C21H19FN4O4S/c22-15-5-7-16(8-6-15)31(29,30)24-21-18(13-25-12-10-23-14-25)17-3-1-2-4-19(17)26(21)11-9-20(27)28/h1-8,10,12,14,24H,9,11,13H2,(H,27,28)