2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[2-(4-chloranylphenoxy)ethyl]ethanamide

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[2-(4-chloranylphenoxy)ethyl]ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-[2-(4-chlorophenoxy)ethyl]acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-[2-(4-chlorophenoxy)ethyl]acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[2-(4-chlorophenoxy)ethyl]acetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-[2-(4-chlorophenoxy)ethyl]acetamide Formula: C21H26ClN3O4S2 MolecularWeight: 484.03184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NCCOC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NCCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H26ClN3O4S2/c22-17-5-7-18(8-6-17)29-14-11-23-20(26)16-30-21-10-9-19(15-24-21)31(27,28)25-12-3-1-2-4-13-25/h5-10,15H,1-4,11-14,16H2,(H,23,26)