3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]carbonyl-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: 3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]carbonyl-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: 3-[[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-oxomethyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N-benzyl-3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide Formula: C24H25N7O3S MolecularWeight: 491.5654

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)S(=O)(=O)NCC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)S(=O)(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C24H25N7O3S/c1-29-22-21(16-27-29)23(26-17-25-22)30-10-12-31(13-11-30)24(32)19-8-5-9-20(14-19)35(33,34)28-15-18-6-3-2-4-7-18/h2-9,14,16-17,28H,10-13,15H2,1H3