(2S)-2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-ethyl-propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)SC1=NC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CCNC(=O)[C@H](C)SC1=NC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C16H25N3O3S2/c1-3-17-16(20)13(2)23-15-9-8-14(12-18-15)24(21,22)19-10-6-4-5-7-11-19/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,17,20)/t13-/m0/s1