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

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N,2-diphenyl-ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N,2-diphenyl-acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N,2-diphenylacetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N,2-diphenylacetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N,2-diphenyl-acetamide Formula: C25H27N3O3S2 MolecularWeight: 481.63018

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3S2/c29-25(27-21-13-7-4-8-14-21)24(20-11-5-3-6-12-20)32-23-16-15-22(19-26-23)33(30,31)28-17-9-1-2-10-18-28/h3-8,11-16,19,24H,1-2,9-10,17-18H2,(H,27,29)