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2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamide

2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamide

Systemtic Name:2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamide
Openeye Name:2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CAS Name:2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
IUPAC Name:2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]acetamide
Traditional Name:2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-veratryl-acetamide
Formula: C22H29N3O5S2
MolecularWeight: 479.61276
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C22H29N3O5S2/c1-29-19-9-7-17(13-20(19)30-2)14-23-21(26)16-31-22-10-8-18(15-24-22)32(27,28)25-11-5-3-4-6-12-25/h7-10,13,15H,3-6,11-12,14,16H2,1-2H3,(H,23,26)


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