4-(2-cyanoethylamino)-N-pyrimidin-2-yl-benzenesulfonamide

Systemtic Name: 4-(2-cyanoethylamino)-N-pyrimidin-2-yl-benzenesulfonamide Openeye Name: 4-(2-cyanoethylamino)-N-pyrimidin-2-yl-benzenesulfonamide CAS Name: 4-(2-cyanoethylamino)-N-(2-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-(2-cyanoethylamino)-N-pyrimidin-2-ylbenzenesulfonamide Traditional Name: 4-(2-cyanoethylamino)-N-(2-pyrimidyl)benzenesulfonamide Formula: C13H13N5O2S MolecularWeight: 303.33962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NCCC#N

Isomeric SMILES

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NCCC#N

InChI

InChI=1S/C13H13N5O2S/c14-7-1-8-15-11-3-5-12(6-4-11)21(19,20)18-13-16-9-2-10-17-13/h2-6,9-10,15H,1,8H2,(H,16,17,18)