(2R)-2-pyrimidin-2-ylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: (2R)-2-pyrimidin-2-ylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2R)-2-pyrimidin-2-ylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: (2R)-2-(2-pyrimidinylthio)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: (2R)-2-pyrimidin-2-ylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2R)-2-(2-pyrimidylthio)-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C17H20N4O3S2 MolecularWeight: 392.4957

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SC3=NC=CC=N3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SC3=NC=CC=N3

InChI

InChI=1S/C17H20N4O3S2/c1-13(25-17-18-9-4-10-19-17)16(22)20-14-5-7-15(8-6-14)26(23,24)21-11-2-3-12-21/h4-10,13H,2-3,11-12H2,1H3,(H,20,22)/t13-/m1/s1