(2R)-N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide

Systemtic Name: (2R)-N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide Openeye Name: (2R)-N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide CAS Name: (2R)-N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]propanamide IUPAC Name: (2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]propionamide Formula: C21H27ClN4O4S2 MolecularWeight: 499.04648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SC(C)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)S[C@H](C)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C21H27ClN4O4S2/c1-3-7-15-12-19(27)25-21(23-15)31-14(2)20(28)24-18-13-16(8-9-17(18)22)32(29,30)26-10-5-4-6-11-26/h8-9,12-14H,3-7,10-11H2,1-2H3,(H,24,28)(H,23,25,27)/t14-/m1/s1