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

Systemtic Name: (2R)-2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-tert-butyl-propanamide Openeye Name: (2R)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-tert-butyl-propanamide CAS Name: (2R)-2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-tert-butylpropanamide IUPAC Name: (2R)-2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-tert-butylpropanamide Traditional Name: (2R)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-tert-butyl-propionamide Formula: C18H29N3O3S2 MolecularWeight: 399.57116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O3S2/c1-14(17(22)20-18(2,3)4)25-16-10-9-15(13-19-16)26(23,24)21-11-7-5-6-8-12-21/h9-10,13-14H,5-8,11-12H2,1-4H3,(H,20,22)/t14-/m1/s1