1-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(imidazol-1-ylmethyl)-3-methyl-indole-5-carboxylic acid

Systemtic Name: 1-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(imidazol-1-ylmethyl)-3-methyl-indole-5-carboxylic acid Openeye Name: 1-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(imidazol-1-ylmethyl)-3-methyl-indole-5-carboxylic acid CAS Name: 1-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(1-imidazolylmethyl)-3-methyl-5-indolecarboxylic acid IUPAC Name: 1-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(imidazol-1-ylmethyl)-3-methylindole-5-carboxylic acid Traditional Name: 1-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(imidazol-1-ylmethyl)-3-methyl-indole-5-carboxylic acid Formula: C22H21FN4O4S MolecularWeight: 456.489943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)C(=O)O)CCNS(=O)(=O)C3=CC=C(C=C3)F)CN4C=CN=C4

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)C(=O)O)CCNS(=O)(=O)C3=CC=C(C=C3)F)CN4C=CN=C4

InChI

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