2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[(2S)-heptan-2-yl]ethanamide

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[(2S)-heptan-2-yl]ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-[(1S)-1-methylhexyl]acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-[(2S)-heptan-2-yl]acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[(2S)-heptan-2-yl]acetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-[(1S)-1-methylhexyl]acetamide Formula: C20H33N3O3S2 MolecularWeight: 427.62432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CCCCC[C@H](C)NC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C20H33N3O3S2/c1-3-4-7-10-17(2)22-19(24)16-27-20-12-11-18(15-21-20)28(25,26)23-13-8-5-6-9-14-23/h11-12,15,17H,3-10,13-14,16H2,1-2H3,(H,22,24)/t17-/m0/s1