2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(3-chloranyl-2-methyl-phenyl)propanamide

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(3-chloranyl-2-methyl-phenyl)propanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-(3-chloro-2-methyl-phenyl)propanamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-(3-chloro-2-methylphenyl)propanamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(3-chloro-2-methylphenyl)propanamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-(3-chloro-2-methyl-phenyl)propionamide Formula: C21H26ClN3O3S2 MolecularWeight: 468.03244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H26ClN3O3S2/c1-15-18(22)8-7-9-19(15)24-21(26)16(2)29-20-11-10-17(14-23-20)30(27,28)25-12-5-3-4-6-13-25/h7-11,14,16H,3-6,12-13H2,1-2H3,(H,24,26)