N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2-nitro-benzamide

Systemtic Name: N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2-nitro-benzamide Openeye Name: N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2-nitro-benzamide CAS Name: N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2-nitrobenzamide IUPAC Name: N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2-nitrobenzamide Traditional Name: N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2-nitro-benzamide Formula: C20H22N4O5S2 MolecularWeight: 462.54248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O5S2/c1-3-11-23(12-4-2)31(28,29)14-9-10-16-18(13-14)30-20(21-16)22-19(25)15-7-5-6-8-17(15)24(26)27/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,22,25)