2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N,N-dimethyl-propanamide

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N,N-dimethyl-propanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N,N-dimethyl-propanamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N,N-dimethylpropanamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N,N-dimethylpropanamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N,N-dimethyl-propionamide Formula: C16H25N3O3S2 MolecularWeight: 371.518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C)SC1=NC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C(=O)N(C)C)SC1=NC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C16H25N3O3S2/c1-13(16(20)18(2)3)23-15-9-8-14(12-17-15)24(21,22)19-10-6-4-5-7-11-19/h8-9,12-13H,4-7,10-11H2,1-3H3