ethyl 6-bromanyl-2-[(4-fluorophenyl)methylsulfonylmethyl]-1-methyl-4-[(2-methylimidazol-1-yl)methyl]-5-oxidanyl-indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-2-[(4-fluorophenyl)methylsulfonylmethyl]-1-methyl-4-[(2-methylimidazol-1-yl)methyl]-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-2-[(4-fluorophenyl)methylsulfonylmethyl]-5-hydroxy-1-methyl-4-[(2-methylimidazol-1-yl)methyl]indole-3-carboxylate CAS Name: 6-bromo-2-[(4-fluorophenyl)methylsulfonylmethyl]-5-hydroxy-1-methyl-4-[(2-methyl-1-imidazolyl)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-2-[(4-fluorophenyl)methylsulfonylmethyl]-5-hydroxy-1-methyl-4-[(2-methylimidazol-1-yl)methyl]indole-3-carboxylate Traditional Name: 6-bromo-2-[(4-fluorobenzyl)sulfonylmethyl]-5-hydroxy-1-methyl-4-[(2-methylimidazol-1-yl)methyl]indole-3-carboxylic acid ethyl ester Formula: C25H25BrFN3O5S MolecularWeight: 578.450503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3C=CN=C3C)O)Br)C)CS(=O)(=O)CC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3C=CN=C3C)O)Br)C)CS(=O)(=O)CC4=CC=C(C=C4)F

InChI

InChI=1S/C25H25BrFN3O5S/c1-4-35-25(32)23-21(14-36(33,34)13-16-5-7-17(27)8-6-16)29(3)20-11-19(26)24(31)18(22(20)23)12-30-10-9-28-15(30)2/h5-11,31H,4,12-14H2,1-3H3