4-chloranyl-N-[3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-phenyl-propyl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-phenyl-propyl]benzenesulfonamide Openeye Name: 4-chloro-N-[3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-phenyl-propyl]benzenesulfonamide CAS Name: 4-chloro-N-[3-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-phenylpropyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-phenylpropyl]benzenesulfonamide Traditional Name: 4-chloro-N-[3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-1-phenyl-propyl]benzenesulfonamide Formula: C21H20ClN5O2S2 MolecularWeight: 473.9988

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCCC(C3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCCC(C3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H20ClN5O2S2/c1-27-20-18(13-25-27)21(24-14-23-20)30-12-11-19(15-5-3-2-4-6-15)26-31(28,29)17-9-7-16(22)8-10-17/h2-10,13-14,19,26H,11-12H2,1H3