4-chloranyl-N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3-nitro-benzamide CAS Name: 4-chloro-N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3-nitro-benzamide Formula: C22H25ClN4O5S2 MolecularWeight: 525.0407

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)S(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CCCC)S(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H25ClN4O5S2/c1-3-5-11-26(12-6-4-2)34(31,32)16-8-10-18-20(14-16)33-22(24-18)25-21(28)15-7-9-17(23)19(13-15)27(29)30/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,24,25,28)