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

Systemtic Name: ethyl 6-bromanyl-1-cyclopropyl-2-[(2-fluorophenyl)methylsulfonylmethyl]-4-[(2-methylimidazol-1-yl)methyl]-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-1-cyclopropyl-2-[(2-fluorophenyl)methylsulfonylmethyl]-5-hydroxy-4-[(2-methylimidazol-1-yl)methyl]indole-3-carboxylate CAS Name: 6-bromo-1-cyclopropyl-2-[(2-fluorophenyl)methylsulfonylmethyl]-5-hydroxy-4-[(2-methyl-1-imidazolyl)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-1-cyclopropyl-2-[(2-fluorophenyl)methylsulfonylmethyl]-5-hydroxy-4-[(2-methylimidazol-1-yl)methyl]indole-3-carboxylate Traditional Name: 6-bromo-1-cyclopropyl-2-[(2-fluorobenzyl)sulfonylmethyl]-5-hydroxy-4-[(2-methylimidazol-1-yl)methyl]indole-3-carboxylic acid ethyl ester Formula: C27H27BrFN3O5S MolecularWeight: 604.487783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3C=CN=C3C)O)Br)C4CC4)CS(=O)(=O)CC5=CC=CC=C5F

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3C=CN=C3C)O)Br)C4CC4)CS(=O)(=O)CC5=CC=CC=C5F

InChI

InChI=1S/C27H27BrFN3O5S/c1-3-37-27(34)25-23(15-38(35,36)14-17-6-4-5-7-21(17)29)32(18-8-9-18)22-12-20(28)26(33)19(24(22)25)13-31-11-10-30-16(31)2/h4-7,10-12,18,33H,3,8-9,13-15H2,1-2H3