N-[3-(diethylsulfamoyl)-4-ethoxy-phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-[3-(diethylsulfamoyl)-4-ethoxy-phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[3-(diethylsulfamoyl)-4-ethoxy-phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[3-(diethylsulfamoyl)-4-ethoxy-phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C21H24N6O6S MolecularWeight: 488.51686

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])OCC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])OCC

InChI

InChI=1S/C21H24N6O6S/c1-4-25(5-2)34(31,32)20-12-16(8-10-19(20)33-6-3)24-21(28)15-7-9-17(18(11-15)27(29)30)26-14-22-13-23-26/h7-14H,4-6H2,1-3H3,(H,24,28)