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

Systemtic Name: N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2-chloranyl-5-nitro-benzamide Openeye Name: 2-chloro-N-[6-(diisobutylsulfamoyl)-1,3-benzothiazol-2-yl]-5-nitro-benzamide CAS Name: N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2-chloro-5-nitrobenzamide IUPAC Name: N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2-chloro-5-nitrobenzamide Traditional Name: 2-chloro-N-[6-(diisobutylsulfamoyl)-1,3-benzothiazol-2-yl]-5-nitro-benzamide Formula: C22H25ClN4O5S2 MolecularWeight: 525.0407

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CN(CC(C)C)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/c1-13(2)11-26(12-14(3)4)34(31,32)16-6-8-19-20(10-16)33-22(24-19)25-21(28)17-9-15(27(29)30)5-7-18(17)23/h5-10,13-14H,11-12H2,1-4H3,(H,24,25,28)