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

Systemtic Name: N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C20H22N6O5S MolecularWeight: 458.49088

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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-])C

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-])C

InChI

InChI=1S/C20H22N6O5S/c1-4-24(5-2)32(30,31)19-11-16(8-6-14(19)3)23-20(27)15-7-9-17(18(10-15)26(28)29)25-13-21-12-22-25/h6-13H,4-5H2,1-3H3,(H,23,27)