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

Systemtic Name: (2R)-N-aminocarbonyl-2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-propanamide Openeye Name: (2R)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-carbamoyl-propanamide CAS Name: (2R)-2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-carbamoylpropanamide IUPAC Name: (2R)-2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-carbamoylpropanamide Traditional Name: (2R)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-carbamoyl-propionamide Formula: C15H22N4O4S2 MolecularWeight: 386.48958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O4S2/c1-11(14(20)18-15(16)21)24-13-7-6-12(10-17-13)25(22,23)19-8-4-2-3-5-9-19/h6-7,10-11H,2-5,8-9H2,1H3,(H3,16,18,20,21)/t11-/m1/s1