6-[(4-bromanyl-2-chloranyl-phenyl)amino]-7-fluoranyl-N-(2-hydroxyethyloxy)-3-methyl-benzimidazole-5-carboxamide; 4-methylbenzenesulfonic acid

Systemtic Name: 6-[(4-bromanyl-2-chloranyl-phenyl)amino]-7-fluoranyl-N-(2-hydroxyethyloxy)-3-methyl-benzimidazole-5-carboxamide; 4-methylbenzenesulfonic acid Openeye Name: 6-(4-bromo-2-chloro-anilino)-7-fluoro-N-(2-hydroxyethoxy)-3-methyl-benzimidazole-5-carboxamide; 4-methylbenzenesulfonic acid CAS Name: 6-(4-bromo-2-chloroanilino)-7-fluoro-N-(2-hydroxyethoxy)-3-methyl-5-benzimidazolecarboxamide; 4-methylbenzenesulfonic acid IUPAC Name: 6-(4-bromo-2-chloroanilino)-7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide; 4-methylbenzenesulfonic acid Traditional Name: 6-(4-bromo-2-chloro-anilino)-7-fluoro-N-(2-hydroxyethoxy)-3-methyl-benzimidazole-5-carboxamide; tosylic acid Formula: C24H23BrClFN4O6S MolecularWeight: 629.883023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO

InChI

InChI=1S/C17H15BrClFN4O3.C7H8O3S/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19;1-6-2-4-7(5-3-6)11(8,9)10/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26);2-5H,1H3,(H,8,9,10)