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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-(2-pyridinylthio)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(2-pyridylthio)acetamide Formula: C19H22ClN3O3S2 MolecularWeight: 439.97928

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=CC=CC=N3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C19H22ClN3O3S2/c20-16-9-8-15(28(25,26)23-11-5-1-2-6-12-23)13-17(16)22-18(24)14-27-19-7-3-4-10-21-19/h3-4,7-10,13H,1-2,5-6,11-12,14H2,(H,22,24)