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

Systemtic Name: ethyl 6-bromanyl-2-[(4-fluorophenyl)sulfinylmethyl]-1-methyl-5-oxidanyl-4-(pyrrolidin-1-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-2-[(4-fluorophenyl)sulfinylmethyl]-5-hydroxy-1-methyl-4-(pyrrolidin-1-ylmethyl)indole-3-carboxylate CAS Name: 6-bromo-2-[(4-fluorophenyl)sulfinylmethyl]-5-hydroxy-1-methyl-4-(1-pyrrolidinylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-2-[(4-fluorophenyl)sulfinylmethyl]-5-hydroxy-1-methyl-4-(pyrrolidin-1-ylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-2-[(4-fluorophenyl)sulfinylmethyl]-5-hydroxy-1-methyl-4-(pyrrolidinomethyl)indole-3-carboxylic acid ethyl ester Formula: C24H26BrFN2O4S MolecularWeight: 537.441643

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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)C4=CC=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C24H26BrFN2O4S/c1-3-32-24(30)22-20(14-33(31)16-8-6-15(26)7-9-16)27(2)19-12-18(25)23(29)17(21(19)22)13-28-10-4-5-11-28/h6-9,12,29H,3-5,10-11,13-14H2,1-2H3