(2S)-N-(4-bromophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxy-propanamide

Systemtic Name: (2S)-N-(4-bromophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxy-propanamide Openeye Name: (2S)-N-(4-bromophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxy-propanamide CAS Name: (2S)-N-(4-bromophenyl)-2-[[6-(dimethylsulfamoyl)-1-benzotriazolyl]oxy]propanamide IUPAC Name: (2S)-N-(4-bromophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide Traditional Name: (2S)-N-(4-bromophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxy-propionamide Formula: C17H18BrN5O4S MolecularWeight: 468.32492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)ON2C3=C(C=CC(=C3)S(=O)(=O)N(C)C)N=N2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)Br)ON2C3=C(C=CC(=C3)S(=O)(=O)N(C)C)N=N2

InChI

InChI=1S/C17H18BrN5O4S/c1-11(17(24)19-13-6-4-12(18)5-7-13)27-23-16-10-14(28(25,26)22(2)3)8-9-15(16)20-21-23/h4-11H,1-3H3,(H,19,24)/t11-/m0/s1