3-[[5-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]-N-piperidin-4-yl-benzenesulfonamide

Systemtic Name: 3-[[5-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]-N-piperidin-4-yl-benzenesulfonamide Openeye Name: 3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]-N-(4-piperidyl)benzenesulfonamide CAS Name: 3-[[5-methyl-2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]amino]-N-(4-piperidinyl)benzenesulfonamide IUPAC Name: 3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]-N-piperidin-4-ylbenzenesulfonamide Traditional Name: 3-[[5-methyl-2-[4-(4-methylpiperazino)anilino]pyrimidin-4-yl]amino]-N-(4-piperidyl)benzenesulfonamide Formula: C27H36N8O2S MolecularWeight: 536.69214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC3CCNCC3)NC4=CC=C(C=C4)N5CCN(CC5)C

Isomeric SMILES

CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC3CCNCC3)NC4=CC=C(C=C4)N5CCN(CC5)C

InChI

InChI=1S/C27H36N8O2S/c1-20-19-29-27(31-21-6-8-24(9-7-21)35-16-14-34(2)15-17-35)32-26(20)30-23-4-3-5-25(18-23)38(36,37)33-22-10-12-28-13-11-22/h3-9,18-19,22,28,33H,10-17H2,1-2H3,(H2,29,30,31,32)