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

Systemtic Name: (2S)-2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(tert-butylcarbamoyl)propanamide Openeye Name: (2S)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-(tert-butylcarbamoyl)propanamide CAS Name: (2S)-2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-[(tert-butylamino)-oxomethyl]propanamide IUPAC Name: (2S)-2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(tert-butylcarbamoyl)propanamide Traditional Name: (2S)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-(tert-butylcarbamoyl)propionamide Formula: C19H30N4O4S2 MolecularWeight: 442.5959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O4S2/c1-14(17(24)21-18(25)22-19(2,3)4)28-16-10-9-15(13-20-16)29(26,27)23-11-7-5-6-8-12-23/h9-10,13-14H,5-8,11-12H2,1-4H3,(H2,21,22,24,25)/t14-/m0/s1