3-[(2-chloranyl-4-pentylsulfanyl-phenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonyl-imidazo[4,5-b]pyridine-5-carboxamide

Systemtic Name: 3-[(2-chloranyl-4-pentylsulfanyl-phenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonyl-imidazo[4,5-b]pyridine-5-carboxamide Openeye Name: 3-[(2-chloro-4-pentylsulfanyl-phenyl)methyl]-2-methyl-N-(p-tolylsulfonyl)imidazo[4,5-b]pyridine-5-carboxamide CAS Name: 3-[[2-chloro-4-(pentylthio)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonyl-5-imidazo[4,5-b]pyridinecarboxamide IUPAC Name: 3-[(2-chloro-4-pentylsulfanylphenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide Traditional Name: 3-[4-(amylthio)-2-chloro-benzyl]-2-methyl-N-tosyl-imidazo[4,5-b]pyridine-5-carboxamide Formula: C27H29ClN4O3S2 MolecularWeight: 557.12716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=CC(=C(C=C1)CN2C(=NC3=C2N=C(C=C3)C(=O)NS(=O)(=O)C4=CC=C(C=C4)C)C)Cl

Isomeric SMILES

CCCCCSC1=CC(=C(C=C1)CN2C(=NC3=C2N=C(C=C3)C(=O)NS(=O)(=O)C4=CC=C(C=C4)C)C)Cl

InChI

InChI=1S/C27H29ClN4O3S2/c1-4-5-6-15-36-21-10-9-20(23(28)16-21)17-32-19(3)29-24-13-14-25(30-26(24)32)27(33)31-37(34,35)22-11-7-18(2)8-12-22/h7-14,16H,4-6,15,17H2,1-3H3,(H,31,33)