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

Systemtic Name: ethyl 6-bromanyl-2-[(4-fluorophenyl)methylsulfonylmethyl]-1-methyl-5-oxidanyl-4-(pyrrolidin-1-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-2-[(4-fluorophenyl)methylsulfonylmethyl]-5-hydroxy-1-methyl-4-(pyrrolidin-1-ylmethyl)indole-3-carboxylate CAS Name: 6-bromo-2-[(4-fluorophenyl)methylsulfonylmethyl]-5-hydroxy-1-methyl-4-(1-pyrrolidinylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-2-[(4-fluorophenyl)methylsulfonylmethyl]-5-hydroxy-1-methyl-4-(pyrrolidin-1-ylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-2-[(4-fluorobenzyl)sulfonylmethyl]-5-hydroxy-1-methyl-4-(pyrrolidinomethyl)indole-3-carboxylic acid ethyl ester Formula: C25H28BrFN2O5S MolecularWeight: 567.467623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3CCCC3)O)Br)C)CS(=O)(=O)CC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3CCCC3)O)Br)C)CS(=O)(=O)CC4=CC=C(C=C4)F

InChI

InChI=1S/C25H28BrFN2O5S/c1-3-34-25(31)23-21(15-35(32,33)14-16-6-8-17(27)9-7-16)28(2)20-12-19(26)24(30)18(22(20)23)13-29-10-4-5-11-29/h6-9,12,30H,3-5,10-11,13-15H2,1-2H3