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

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-benzyl-acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-benzylacetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-benzyl-acetamide Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O3S2/c24-19(21-14-17-8-4-3-5-9-17)16-27-20-11-10-18(15-22-20)28(25,26)23-12-6-1-2-7-13-23/h3-5,8-11,15H,1-2,6-7,12-14,16H2,(H,21,24)