N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanyl-ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanyl-ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanyl-acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(3-imidazo[1,5-a]pyridinylthio)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(imidazo[1,5-a]pyridin-3-ylthio)acetamide Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC=C3N2C=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC=C3N2C=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H26N4O3S2/c1-17-9-10-18(14-20(17)31(28,29)25-11-5-2-3-6-12-25)24-21(27)16-30-22-23-15-19-8-4-7-13-26(19)22/h4,7-10,13-15H,2-3,5-6,11-12,16H2,1H3,(H,24,27)