(phenylmethyl) 2-[[7-bromanyl-5-(methylsulfamoylmethyl)-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[[7-bromanyl-5-(methylsulfamoylmethyl)-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[[7-bromo-5-(methylsulfamoylmethyl)-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylate CAS Name: 2-[[7-bromo-5-(methylsulfamoylmethyl)-1H-indol-3-yl]methyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[7-bromo-5-(methylsulfamoylmethyl)-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[7-bromo-5-(methylsulfamoylmethyl)-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C23H26BrN3O4S MolecularWeight: 520.43924

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)CC1=CC(=C2C(=C1)C(=CN2)CC3CCCN3C(=O)OCC4=CC=CC=C4)Br

Isomeric SMILES

CNS(=O)(=O)CC1=CC(=C2C(=C1)C(=CN2)CC3CCCN3C(=O)OCC4=CC=CC=C4)Br

InChI

InChI=1S/C23H26BrN3O4S/c1-25-32(29,30)15-17-10-20-18(13-26-22(20)21(24)11-17)12-19-8-5-9-27(19)23(28)31-14-16-6-3-2-4-7-16/h2-4,6-7,10-11,13,19,25-26H,5,8-9,12,14-15H2,1H3