N-[4-(4-nitrophenyl)sulfonylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

Systemtic Name: N-[4-(4-nitrophenyl)sulfonylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Openeye Name: N-[4-(4-nitrophenyl)sulfonylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide CAS Name: N-[4-(4-nitrophenyl)sulfonylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide IUPAC Name: N-[4-(4-nitrophenyl)sulfonylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Traditional Name: N-(4-nosylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide Formula: C22H17N5O5S MolecularWeight: 463.46588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N5O5S/c28-22(17-3-1-16(2-4-17)13-26-15-23-14-24-26)25-18-5-9-20(10-6-18)33(31,32)21-11-7-19(8-12-21)27(29)30/h1-12,14-15H,13H2,(H,25,28)