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1-[(3-bromophenyl)methyl]-3-(3,4,5-trisulfamoylphenyl)urea

1-[(3-bromophenyl)methyl]-3-(3,4,5-trisulfamoylphenyl)urea

Systemtic Name:1-[(3-bromophenyl)methyl]-3-(3,4,5-trisulfamoylphenyl)urea
Openeye Name:1-[(3-bromophenyl)methyl]-3-(3,4,5-trisulfamoylphenyl)urea
CAS Name:1-[(3-bromophenyl)methyl]-3-(3,4,5-trisulfamoylphenyl)urea
IUPAC Name:1-[(3-bromophenyl)methyl]-3-(3,4,5-trisulfamoylphenyl)urea
Traditional Name:1-(3-bromobenzyl)-3-(3,4,5-trisulfamoylphenyl)urea
Formula: C14H16BrN5O7S3
MolecularWeight: 542.40514
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CNC(=O)NC2=CC(=C(C(=C2)S(=O)(=O)N)S(=O)(=O)N)S(=O)(=O)N


Isomeric SMILES

C1=CC(=CC(=C1)Br)CNC(=O)NC2=CC(=C(C(=C2)S(=O)(=O)N)S(=O)(=O)N)S(=O)(=O)N


InChI

InChI=1S/C14H16BrN5O7S3/c15-9-3-1-2-8(4-9)7-19-14(21)20-10-5-11(28(16,22)23)13(30(18,26)27)12(6-10)29(17,24)25/h1-6H,7H2,(H2,16,22,23)(H2,17,24,25)(H2,18,26,27)(H2,19,20,21)


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