3-[5-[(4-fluorophenyl)sulfonylamino]-3-(imidazol-1-ylmethyl)-2-methyl-indol-1-yl]propanoic acid

Systemtic Name: 3-[5-[(4-fluorophenyl)sulfonylamino]-3-(imidazol-1-ylmethyl)-2-methyl-indol-1-yl]propanoic acid Openeye Name: 3-[5-[(4-fluorophenyl)sulfonylamino]-3-(imidazol-1-ylmethyl)-2-methyl-indol-1-yl]propanoic acid CAS Name: 3-[5-[(4-fluorophenyl)sulfonylamino]-3-(1-imidazolylmethyl)-2-methyl-1-indolyl]propanoic acid IUPAC Name: 3-[5-[(4-fluorophenyl)sulfonylamino]-3-(imidazol-1-ylmethyl)-2-methylindol-1-yl]propanoic acid Traditional Name: 3-[5-[(4-fluorophenyl)sulfonylamino]-3-(imidazol-1-ylmethyl)-2-methyl-indol-1-yl]propionic acid Formula: C22H21FN4O4S MolecularWeight: 456.489943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CCC(=O)O)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)CN4C=CN=C4

Isomeric SMILES

CC1=C(C2=C(N1CCC(=O)O)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)CN4C=CN=C4

InChI

InChI=1S/C22H21FN4O4S/c1-15-20(13-26-11-9-24-14-26)19-12-17(4-7-21(19)27(15)10-8-22(28)29)25-32(30,31)18-5-2-16(23)3-6-18/h2-7,9,11-12,14,25H,8,10,13H2,1H3,(H,28,29)