N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-3,5-dinitro-benzamide

Systemtic Name: N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-3,5-dinitro-benzamide Openeye Name: N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-3,5-dinitro-benzamide CAS Name: N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-3,5-dinitrobenzamide IUPAC Name: N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-3,5-dinitrobenzamide Traditional Name: N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-3,5-dinitro-benzamide Formula: C20H21N5O7S2 MolecularWeight: 507.54004

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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-])[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-])[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O7S2/c1-3-7-23(8-4-2)34(31,32)16-5-6-17-18(12-16)33-20(21-17)22-19(26)13-9-14(24(27)28)11-15(10-13)25(29)30/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,21,22,26)