2-(4-chloranyl-3-nitro-phenyl)carbonyl-N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide

Systemtic Name: 2-(4-chloranyl-3-nitro-phenyl)carbonyl-N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide Openeye Name: 2-(4-chloro-3-nitro-benzoyl)-N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide CAS Name: 2-[(4-chloro-3-nitrophenyl)-oxomethyl]-N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide IUPAC Name: 2-(4-chloro-3-nitrobenzoyl)-N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide Traditional Name: 2-(4-chloro-3-nitro-benzoyl)-N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide Formula: C27H25ClN4O6S2 MolecularWeight: 601.0936

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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=C3C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCN(CCC)S(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CC=C3C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C27H25ClN4O6S2/c1-3-13-31(14-4-2)40(37,38)18-10-12-22-24(16-18)39-27(29-22)30-26(34)20-8-6-5-7-19(20)25(33)17-9-11-21(28)23(15-17)32(35)36/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,29,30,34)