N-[3-(dimethylsulfamoyl)phenyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[3-(dimethylsulfamoyl)phenyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-[3-(dimethylsulfamoyl)phenyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: N-[3-(dimethylsulfamoyl)phenyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide IUPAC Name: N-[3-(dimethylsulfamoyl)phenyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-[3-(dimethylsulfamoyl)phenyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C17H16N4O5S3 MolecularWeight: 452.52774

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O5S3/c1-20(2)29(25,26)13-5-3-4-11(8-13)18-16(22)10-27-17-19-14-7-6-12(21(23)24)9-15(14)28-17/h3-9H,10H2,1-2H3,(H,18,22)