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

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[(3-chlorophenyl)methyl]-N-methyl-ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-[(3-chlorophenyl)methyl]-N-methyl-acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-[(3-chlorophenyl)methyl]-N-methylacetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[(3-chlorophenyl)methyl]-N-methylacetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-(3-chlorobenzyl)-N-methyl-acetamide Formula: C21H26ClN3O3S2 MolecularWeight: 468.03244

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)Cl)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(CC1=CC(=CC=C1)Cl)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H26ClN3O3S2/c1-24(15-17-7-6-8-18(22)13-17)21(26)16-29-20-10-9-19(14-23-20)30(27,28)25-11-4-2-3-5-12-25/h6-10,13-14H,2-5,11-12,15-16H2,1H3