ethyl 6-bromanyl-1-methyl-4-[(2-methylimidazol-1-yl)methyl]-5-oxidanyl-2-[(phenylmethyl)sulfonylmethyl]indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-1-methyl-4-[(2-methylimidazol-1-yl)methyl]-5-oxidanyl-2-[(phenylmethyl)sulfonylmethyl]indole-3-carboxylate Openeye Name: ethyl 2-(benzylsulfonylmethyl)-6-bromo-5-hydroxy-1-methyl-4-[(2-methylimidazol-1-yl)methyl]indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-1-methyl-4-[(2-methyl-1-imidazolyl)methyl]-2-[(phenylmethyl)sulfonylmethyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzylsulfonylmethyl)-6-bromo-5-hydroxy-1-methyl-4-[(2-methylimidazol-1-yl)methyl]indole-3-carboxylate Traditional Name: 2-(benzylsulfonylmethyl)-6-bromo-5-hydroxy-1-methyl-4-[(2-methylimidazol-1-yl)methyl]indole-3-carboxylic acid ethyl ester Formula: C25H26BrN3O5S MolecularWeight: 560.46004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3C=CN=C3C)O)Br)C)CS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3C=CN=C3C)O)Br)C)CS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H26BrN3O5S/c1-4-34-25(31)23-21(15-35(32,33)14-17-8-6-5-7-9-17)28(3)20-12-19(26)24(30)18(22(20)23)13-29-11-10-27-16(29)2/h5-12,30H,4,13-15H2,1-3H3