(2S)-2-(4-tert-butylphenyl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

Systemtic Name: (2S)-2-(4-tert-butylphenyl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide Openeye Name: (2S)-2-(4-tert-butylphenyl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide CAS Name: (2S)-2-[(4-tert-butylphenyl)thio]-N-[4-(2-pyrimidinylsulfamoyl)phenyl]propanamide IUPAC Name: (2S)-2-(4-tert-butylphenyl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide Traditional Name: (2S)-2-[(4-tert-butylphenyl)thio]-N-[4-(2-pyrimidylsulfamoyl)phenyl]propionamide Formula: C23H26N4O3S2 MolecularWeight: 470.60754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)SC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)SC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H26N4O3S2/c1-16(31-19-10-6-17(7-11-19)23(2,3)4)21(28)26-18-8-12-20(13-9-18)32(29,30)27-22-24-14-5-15-25-22/h5-16H,1-4H3,(H,26,28)(H,24,25,27)/t16-/m0/s1