N-[4-(azepan-1-ylsulfonyl)phenyl]-2-pyridin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(2-pyridinylthio)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-pyridylthio)acetamide Formula: C19H23N3O3S2 MolecularWeight: 405.53422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O3S2/c23-18(15-26-19-7-3-4-12-20-19)21-16-8-10-17(11-9-16)27(24,25)22-13-5-1-2-6-14-22/h3-4,7-12H,1-2,5-6,13-15H2,(H,21,23)