1-[3-(3-azanylpropylsulfamoyl)-4-chloranyl-2-oxidanyl-phenyl]-3-(2-bromophenyl)urea hydrochloride

Systemtic Name: 1-[3-(3-azanylpropylsulfamoyl)-4-chloranyl-2-oxidanyl-phenyl]-3-(2-bromophenyl)urea hydrochloride Openeye Name: 1-[3-(3-aminopropylsulfamoyl)-4-chloro-2-hydroxy-phenyl]-3-(2-bromophenyl)urea hydrochloride CAS Name: 1-[3-(3-aminopropylsulfamoyl)-4-chloro-2-hydroxyphenyl]-3-(2-bromophenyl)urea hydrochloride IUPAC Name: 1-[3-(3-aminopropylsulfamoyl)-4-chloro-2-hydroxyphenyl]-3-(2-bromophenyl)urea hydrochloride Traditional Name: 1-[3-(3-aminopropylsulfamoyl)-4-chloro-2-hydroxy-phenyl]-3-(2-bromophenyl)urea hydrochloride Formula: C16H19BrCl2N4O4S MolecularWeight: 514.22146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)NC2=C(C(=C(C=C2)Cl)S(=O)(=O)NCCCN)O)Br.Cl

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)NC2=C(C(=C(C=C2)Cl)S(=O)(=O)NCCCN)O)Br.Cl

InChI

InChI=1S/C16H18BrClN4O4S.ClH/c17-10-4-1-2-5-12(10)21-16(24)22-13-7-6-11(18)15(14(13)23)27(25,26)20-9-3-8-19;/h1-2,4-7,20,23H,3,8-9,19H2,(H2,21,22,24);1H