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

Systemtic Name: (phenylmethyl) 2-[[7-bromanyl-5-(tert-butylsulfamoylmethyl)-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[[7-bromo-5-(tert-butylsulfamoylmethyl)-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylate CAS Name: 2-[[7-bromo-5-(tert-butylsulfamoylmethyl)-1H-indol-3-yl]methyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[7-bromo-5-(tert-butylsulfamoylmethyl)-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[7-bromo-5-(tert-butylsulfamoylmethyl)-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C26H32BrN3O4S MolecularWeight: 562.51898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32BrN3O4S/c1-26(2,3)29-35(32,33)17-19-12-22-20(15-28-24(22)23(27)13-19)14-21-10-7-11-30(21)25(31)34-16-18-8-5-4-6-9-18/h4-6,8-9,12-13,15,21,28-29H,7,10-11,14,16-17H2,1-3H3