2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]ethanamide

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-[(3-methoxyphenyl)methyl]acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-m-anisyl-acetamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H27N3O4S2/c1-28-18-8-6-7-17(13-18)14-22-20(25)16-29-21-10-9-19(15-23-21)30(26,27)24-11-4-2-3-5-12-24/h6-10,13,15H,2-5,11-12,14,16H2,1H3,(H,22,25)