N-[[4-[4-azanyl-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]benzenesulfonamide

Systemtic Name: N-[[4-[4-azanyl-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]benzenesulfonamide Openeye Name: N-[[4-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]benzenesulfonamide CAS Name: N-[[4-[4-amino-7-[4-(4-methyl-1-piperazinyl)cyclohexyl]-5-pyrrolo[2,3-d]pyrimidinyl]phenyl]methyl]benzenesulfonamide IUPAC Name: N-[[4-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]benzenesulfonamide Traditional Name: N-[4-[4-amino-7-[4-(4-methylpiperazino)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]benzyl]benzenesulfonamide Formula: C30H37N7O2S MolecularWeight: 559.72548

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4N)C5=CC=C(C=C5)CNS(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

CN1CCN(CC1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4N)C5=CC=C(C=C5)CNS(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C30H37N7O2S/c1-35-15-17-36(18-16-35)24-11-13-25(14-12-24)37-20-27(28-29(31)32-21-33-30(28)37)23-9-7-22(8-10-23)19-34-40(38,39)26-5-3-2-4-6-26/h2-10,20-21,24-25,34H,11-19H2,1H3,(H2,31,32,33)