2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-phenyl-ethanamide

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-phenylacetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-phenyl-acetamide Formula: C19H23N3O3S2 MolecularWeight: 405.53422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3=CC=CC=C3

InChI

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