3-[(4-methylphenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

Systemtic Name: 3-[(4-methylphenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide Openeye Name: 3-(p-tolylsulfonylamino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide CAS Name: 3-[(4-methylphenyl)sulfonylamino]-N-[4-(2-pyrimidinylsulfamoyl)phenyl]propanamide IUPAC Name: 3-[(4-methylphenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide Traditional Name: N-[4-(2-pyrimidylsulfamoyl)phenyl]-3-(tosylamino)propionamide Formula: C20H21N5O5S2 MolecularWeight: 475.54124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C20H21N5O5S2/c1-15-3-7-17(8-4-15)31(27,28)23-14-11-19(26)24-16-5-9-18(10-6-16)32(29,30)25-20-21-12-2-13-22-20/h2-10,12-13,23H,11,14H2,1H3,(H,24,26)(H,21,22,25)