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

Systemtic Name: ethyl 6-bromanyl-2-[(4-fluorophenyl)methylsulfonylmethyl]-1-methyl-5-oxidanyl-4-(1,2,4-triazol-1-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-2-[(4-fluorophenyl)methylsulfonylmethyl]-5-hydroxy-1-methyl-4-(1,2,4-triazol-1-ylmethyl)indole-3-carboxylate CAS Name: 6-bromo-2-[(4-fluorophenyl)methylsulfonylmethyl]-5-hydroxy-1-methyl-4-(1,2,4-triazol-1-ylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-2-[(4-fluorophenyl)methylsulfonylmethyl]-5-hydroxy-1-methyl-4-(1,2,4-triazol-1-ylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-2-[(4-fluorobenzyl)sulfonylmethyl]-5-hydroxy-1-methyl-4-(1,2,4-triazol-1-ylmethyl)indole-3-carboxylic acid ethyl ester Formula: C23H22BrFN4O5S MolecularWeight: 565.411983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3C=NC=N3)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=NC=N3)O)Br)C)CS(=O)(=O)CC4=CC=C(C=C4)F

InChI

InChI=1S/C23H22BrFN4O5S/c1-3-34-23(31)21-19(11-35(32,33)10-14-4-6-15(25)7-5-14)28(2)18-8-17(24)22(30)16(20(18)21)9-29-13-26-12-27-29/h4-8,12-13,30H,3,9-11H2,1-2H3