(2S)-2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[(2S)-2-cyano-3-methyl-butan-2-yl]propanamide

Systemtic Name: (2S)-2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[(2S)-2-cyano-3-methyl-butan-2-yl]propanamide Openeye Name: (2S)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-[(1S)-1-cyano-1,2-dimethyl-propyl]propanamide CAS Name: (2S)-2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide IUPAC Name: (2S)-2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide Traditional Name: (2S)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-[(1S)-1-cyano-1,2-dimethyl-propyl]propionamide Formula: C20H30N4O3S2 MolecularWeight: 438.6072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O3S2/c1-15(2)20(4,14-21)23-19(25)16(3)28-18-10-9-17(13-22-18)29(26,27)24-11-7-5-6-8-12-24/h9-10,13,15-16H,5-8,11-12H2,1-4H3,(H,23,25)/t16-,20+/m0/s1