3-[5-[(4-fluorophenyl)sulfonylamino]-3-(imidazol-1-ylmethyl)indol-1-yl]propanoic acid

Systemtic Name: 3-[5-[(4-fluorophenyl)sulfonylamino]-3-(imidazol-1-ylmethyl)indol-1-yl]propanoic acid Openeye Name: 3-[5-[(4-fluorophenyl)sulfonylamino]-3-(imidazol-1-ylmethyl)indol-1-yl]propanoic acid CAS Name: 3-[5-[(4-fluorophenyl)sulfonylamino]-3-(1-imidazolylmethyl)-1-indolyl]propanoic acid IUPAC Name: 3-[5-[(4-fluorophenyl)sulfonylamino]-3-(imidazol-1-ylmethyl)indol-1-yl]propanoic acid Traditional Name: 3-[5-[(4-fluorophenyl)sulfonylamino]-3-(imidazol-1-ylmethyl)indol-1-yl]propionic acid Formula: C21H19FN4O4S MolecularWeight: 442.463363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1F)S(=O)(=O)NC2=CC3=C(C=C2)N(C=C3CN4C=CN=C4)CCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1F)S(=O)(=O)NC2=CC3=C(C=C2)N(C=C3CN4C=CN=C4)CCC(=O)O

InChI

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