5-tert-butyl-2-methyl-N-[4-[(pyrimidin-2-ylamino)carbamoyl]phenyl]benzenesulfonamide

Systemtic Name: 5-tert-butyl-2-methyl-N-[4-[(pyrimidin-2-ylamino)carbamoyl]phenyl]benzenesulfonamide Openeye Name: 5-tert-butyl-2-methyl-N-[4-[(pyrimidin-2-ylamino)carbamoyl]phenyl]benzenesulfonamide CAS Name: 5-tert-butyl-2-methyl-N-[4-[oxo-(2-pyrimidinylhydrazo)methyl]phenyl]benzenesulfonamide IUPAC Name: 5-tert-butyl-2-methyl-N-[4-[(pyrimidin-2-ylamino)carbamoyl]phenyl]benzenesulfonamide Traditional Name: 5-tert-butyl-2-methyl-N-[4-[(2-pyrimidylamino)carbamoyl]phenyl]benzenesulfonamide Formula: C22H25N5O3S MolecularWeight: 439.5306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NNC3=NC=CC=N3

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NNC3=NC=CC=N3

InChI

InChI=1S/C22H25N5O3S/c1-15-6-9-17(22(2,3)4)14-19(15)31(29,30)27-18-10-7-16(8-11-18)20(28)25-26-21-23-12-5-13-24-21/h5-14,27H,1-4H3,(H,25,28)(H,23,24,26)