(2S)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxy-N-(3-nitrophenyl)propanamide

Systemtic Name: (2S)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxy-N-(3-nitrophenyl)propanamide Openeye Name: (2S)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxy-N-(3-nitrophenyl)propanamide CAS Name: (2S)-2-[[6-(dimethylsulfamoyl)-1-benzotriazolyl]oxy]-N-(3-nitrophenyl)propanamide IUPAC Name: (2S)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxy-N-(3-nitrophenyl)propanamide Traditional Name: (2S)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxy-N-(3-nitrophenyl)propionamide Formula: C17H18N6O6S MolecularWeight: 434.42642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])ON2C3=C(C=CC(=C3)S(=O)(=O)N(C)C)N=N2

Isomeric SMILES

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

InChI

InChI=1S/C17H18N6O6S/c1-11(17(24)18-12-5-4-6-13(9-12)23(25)26)29-22-16-10-14(30(27,28)21(2)3)7-8-15(16)19-20-22/h4-11H,1-3H3,(H,18,24)/t11-/m0/s1