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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanyl-ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanyl-acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-(3-imidazo[1,5-a]pyridinylthio)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(imidazo[1,5-a]pyridin-3-ylthio)acetamide Formula: C21H23ClN4O3S2 MolecularWeight: 479.01532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NC=C4N3C=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NC=C4N3C=CC=C4

InChI

InChI=1S/C21H23ClN4O3S2/c22-18-9-8-17(31(28,29)25-10-4-1-2-5-11-25)13-19(18)24-20(27)15-30-21-23-14-16-7-3-6-12-26(16)21/h3,6-9,12-14H,1-2,4-5,10-11,15H2,(H,24,27)