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

Systemtic Name: N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-3-nitro-benzamide Openeye Name: N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-3-nitro-benzamide CAS Name: N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-3-nitrobenzamide IUPAC Name: N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-3-nitrobenzamide Traditional Name: N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-3-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/c1-3-10-23(11-4-2)31(28,29)16-8-9-17-18(13-16)30-20(21-17)22-19(25)14-6-5-7-15(12-14)24(26)27/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,21,22,25)