4-(cyclopropylamino)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-3-nitro-benzamide

Systemtic Name: 4-(cyclopropylamino)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-3-nitro-benzamide Formula: C21H26N4O5S MolecularWeight: 446.51994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])C

InChI

InChI=1S/C21H26N4O5S/c1-4-24(5-2)31(29,30)20-13-17(8-6-14(20)3)23-21(26)15-7-11-18(22-16-9-10-16)19(12-15)25(27)28/h6-8,11-13,16,22H,4-5,9-10H2,1-3H3,(H,23,26)