N-[5-(diethylsulfamoyl)-2-methoxy-phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-[5-(diethylsulfamoyl)-2-methoxy-phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[5-(diethylsulfamoyl)-2-methoxy-phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[5-(diethylsulfamoyl)-2-methoxy-phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C20H22N6O6S MolecularWeight: 474.49028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O6S/c1-4-24(5-2)33(30,31)15-7-9-19(32-3)16(11-15)23-20(27)14-6-8-17(18(10-14)26(28)29)25-13-21-12-22-25/h6-13H,4-5H2,1-3H3,(H,23,27)