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

Systemtic Name: 2-chloranyl-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-5-nitro-benzamide CAS Name: 2-chloro-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-5-nitro-benzamide Formula: C18H17ClN4O5S2 MolecularWeight: 468.93438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN(CC)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/C18H17ClN4O5S2/c1-3-22(4-2)30(27,28)12-6-8-15-16(10-12)29-18(20-15)21-17(24)13-9-11(23(25)26)5-7-14(13)19/h5-10H,3-4H2,1-2H3,(H,20,21,24)