3-[(2-chloranyl-4-nitro-phenyl)methyl]-2-methyl-N-(phenylsulfonyl)imidazo[4,5-b]pyridine-5-carboxamide

Systemtic Name: 3-[(2-chloranyl-4-nitro-phenyl)methyl]-2-methyl-N-(phenylsulfonyl)imidazo[4,5-b]pyridine-5-carboxamide Openeye Name: N-(benzenesulfonyl)-3-[(2-chloro-4-nitro-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxamide CAS Name: N-(benzenesulfonyl)-3-[(2-chloro-4-nitrophenyl)methyl]-2-methyl-5-imidazo[4,5-b]pyridinecarboxamide IUPAC Name: N-(benzenesulfonyl)-3-[(2-chloro-4-nitrophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxamide Traditional Name: N-besyl-3-(2-chloro-4-nitro-benzyl)-2-methyl-imidazo[4,5-b]pyridine-5-carboxamide Formula: C21H16ClN5O5S MolecularWeight: 485.90024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=C(C=C(C=C3)[N+](=O)[O-])Cl)N=C(C=C2)C(=O)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(N1CC3=C(C=C(C=C3)[N+](=O)[O-])Cl)N=C(C=C2)C(=O)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H16ClN5O5S/c1-13-23-18-9-10-19(21(28)25-33(31,32)16-5-3-2-4-6-16)24-20(18)26(13)12-14-7-8-15(27(29)30)11-17(14)22/h2-11H,12H2,1H3,(H,25,28)