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

Systemtic Name: 2-(4-chloranyl-3-nitro-phenyl)carbonyl-N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide Openeye Name: 2-(4-chloro-3-nitro-benzoyl)-N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide CAS Name: 2-[(4-chloro-3-nitrophenyl)-oxomethyl]-N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide IUPAC Name: 2-(4-chloro-3-nitrobenzoyl)-N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide Traditional Name: 2-(4-chloro-3-nitro-benzoyl)-N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide Formula: C29H29ClN4O6S2 MolecularWeight: 629.14676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)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

CCCCN(CCCC)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/C29H29ClN4O6S2/c1-3-5-15-33(16-6-4-2)42(39,40)20-12-14-24-26(18-20)41-29(31-24)32-28(36)22-10-8-7-9-21(22)27(35)19-11-13-23(30)25(17-19)34(37)38/h7-14,17-18H,3-6,15-16H2,1-2H3,(H,31,32,36)