5-bromanyl-3-pyrrolidin-1-ylsulfonyl-N-[(4-sulfamoylphenyl)methyl]-1H-indole-2-carboxamide

Systemtic Name: 5-bromanyl-3-pyrrolidin-1-ylsulfonyl-N-[(4-sulfamoylphenyl)methyl]-1H-indole-2-carboxamide Openeye Name: 5-bromo-3-pyrrolidin-1-ylsulfonyl-N-[(4-sulfamoylphenyl)methyl]-1H-indole-2-carboxamide CAS Name: 5-bromo-3-(1-pyrrolidinylsulfonyl)-N-[(4-sulfamoylphenyl)methyl]-1H-indole-2-carboxamide IUPAC Name: 5-bromo-3-pyrrolidin-1-ylsulfonyl-N-[(4-sulfamoylphenyl)methyl]-1H-indole-2-carboxamide Traditional Name: 5-bromo-3-pyrrolidinosulfonyl-N-(4-sulfamoylbenzyl)-1H-indole-2-carboxamide Formula: C20H21BrN4O5S2 MolecularWeight: 541.43854

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Br)C(=O)NCC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Br)C(=O)NCC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C20H21BrN4O5S2/c21-14-5-8-17-16(11-14)19(32(29,30)25-9-1-2-10-25)18(24-17)20(26)23-12-13-3-6-15(7-4-13)31(22,27)28/h3-8,11,24H,1-2,9-10,12H2,(H,23,26)(H2,22,27,28)