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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(2-pyrimidylthio)acetamide Formula: C18H21ClN4O3S2 MolecularWeight: 440.96734

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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=CC=N3

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4O3S2/c19-15-7-6-14(28(25,26)23-10-3-1-2-4-11-23)12-16(15)22-17(24)13-27-18-20-8-5-9-21-18/h5-9,12H,1-4,10-11,13H2,(H,22,24)