4-[4-[(4-chlorophenyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide

Systemtic Name: 4-[4-[(4-chlorophenyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Openeye Name: 4-[4-(4-chloroanilino)pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide CAS Name: 4-[4-(4-chloroanilino)-1-pyrazolo[3,4-d]pyrimidinyl]benzenesulfonamide IUPAC Name: 4-[4-(4-chloroanilino)pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Traditional Name: 4-[4-(4-chloroanilino)pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Formula: C17H13ClN6O2S MolecularWeight: 400.84212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)S(=O)(=O)N)Cl

Isomeric SMILES

C1=CC(=CC=C1NC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)S(=O)(=O)N)Cl

InChI

InChI=1S/C17H13ClN6O2S/c18-11-1-3-12(4-2-11)23-16-15-9-22-24(17(15)21-10-20-16)13-5-7-14(8-6-13)27(19,25)26/h1-10H,(H2,19,25,26)(H,20,21,23)