N-(2-methylphenyl)-4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(2-methylphenyl)-4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: 4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-N-(o-tolyl)benzenesulfonamide CAS Name: N-(2-methylphenyl)-4-[[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-(2-methylphenyl)-4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: 4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-N-(o-tolyl)benzenesulfonamide Formula: C24H25N7O3S MolecularWeight: 491.5654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC=NC5=C4C=NN5C

Isomeric SMILES

CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC=NC5=C4C=NN5C

InChI

InChI=1S/C24H25N7O3S/c1-17-5-3-4-6-21(17)28-35(33,34)19-9-7-18(8-10-19)24(32)31-13-11-30(12-14-31)23-20-15-27-29(2)22(20)25-16-26-23/h3-10,15-16,28H,11-14H2,1-2H3