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

Systemtic Name: ethyl 6-bromanyl-2-[(3-fluorophenyl)methylsulfinylmethyl]-1-methyl-5-oxidanyl-4-(piperidin-1-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-2-[(3-fluorophenyl)methylsulfinylmethyl]-5-hydroxy-1-methyl-4-(1-piperidylmethyl)indole-3-carboxylate CAS Name: 6-bromo-2-[(3-fluorophenyl)methylsulfinylmethyl]-5-hydroxy-1-methyl-4-(1-piperidinylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-2-[(3-fluorophenyl)methylsulfinylmethyl]-5-hydroxy-1-methyl-4-(piperidin-1-ylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-2-[(3-fluorobenzyl)sulfinylmethyl]-5-hydroxy-1-methyl-4-(piperidinomethyl)indole-3-carboxylic acid ethyl ester Formula: C26H30BrFN2O4S MolecularWeight: 565.494803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3CCCCC3)O)Br)C)CS(=O)CC4=CC(=CC=C4)F

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3CCCCC3)O)Br)C)CS(=O)CC4=CC(=CC=C4)F

InChI

InChI=1S/C26H30BrFN2O4S/c1-3-34-26(32)24-22(16-35(33)15-17-8-7-9-18(28)12-17)29(2)21-13-20(27)25(31)19(23(21)24)14-30-10-5-4-6-11-30/h7-9,12-13,31H,3-6,10-11,14-16H2,1-2H3