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

Systemtic Name: (2S)-2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(propan-2-ylcarbamoyl)propanamide Openeye Name: (2S)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-(isopropylcarbamoyl)propanamide CAS Name: (2S)-2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-[oxo-(propan-2-ylamino)methyl]propanamide IUPAC Name: (2S)-2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(propan-2-ylcarbamoyl)propanamide Traditional Name: (2S)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-(isopropylcarbamoyl)propionamide Formula: C18H28N4O4S2 MolecularWeight: 428.56932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O4S2/c1-13(2)20-18(24)21-17(23)14(3)27-16-9-8-15(12-19-16)28(25,26)22-10-6-4-5-7-11-22/h8-9,12-14H,4-7,10-11H2,1-3H3,(H2,20,21,23,24)/t14-/m0/s1