2-chloranyl-N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-5-nitro-benzamide CAS Name: 2-chloro-N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-5-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=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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