3-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(tert-butylcarbamoyl)propanamide

Systemtic Name: 3-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(tert-butylcarbamoyl)propanamide Openeye Name: 3-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-(tert-butylcarbamoyl)propanamide CAS Name: 3-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-[(tert-butylamino)-oxomethyl]propanamide IUPAC Name: 3-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(tert-butylcarbamoyl)propanamide Traditional Name: 3-[[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)(C)NC(=O)NC(=O)CCSC1=NC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)CCSC1=NC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C19H30N4O4S2/c1-19(2,3)22-18(25)21-16(24)10-13-28-17-9-8-15(14-20-17)29(26,27)23-11-6-4-5-7-12-23/h8-9,14H,4-7,10-13H2,1-3H3,(H2,21,22,24,25)