2-[[5-chloranyl-2-[[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]-N-cyclopentyl-benzenesulfonamide

Systemtic Name: 2-[[5-chloranyl-2-[[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]-N-cyclopentyl-benzenesulfonamide Openeye Name: 2-[[5-chloro-2-[2-methoxy-4-[4-(1-piperidyl)-1-piperidyl]anilino]pyrimidin-4-yl]amino]-N-cyclopentyl-benzenesulfonamide CAS Name: 2-[[5-chloro-2-[2-methoxy-4-[4-(1-piperidinyl)-1-piperidinyl]anilino]-4-pyrimidinyl]amino]-N-cyclopentylbenzenesulfonamide IUPAC Name: 2-[[5-chloro-2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]amino]-N-cyclopentylbenzenesulfonamide Traditional Name: 2-[[5-chloro-2-[2-methoxy-4-(4-piperidinopiperidino)anilino]pyrimidin-4-yl]amino]-N-cyclopentyl-benzenesulfonamide Formula: C32H42ClN7O3S MolecularWeight: 640.23898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N2CCC(CC2)N3CCCCC3)NC4=NC=C(C(=N4)NC5=CC=CC=C5S(=O)(=O)NC6CCCC6)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)N2CCC(CC2)N3CCCCC3)NC4=NC=C(C(=N4)NC5=CC=CC=C5S(=O)(=O)NC6CCCC6)Cl

InChI

InChI=1S/C32H42ClN7O3S/c1-43-29-21-25(40-19-15-24(16-20-40)39-17-7-2-8-18-39)13-14-27(29)36-32-34-22-26(33)31(37-32)35-28-11-5-6-12-30(28)44(41,42)38-23-9-3-4-10-23/h5-6,11-14,21-24,38H,2-4,7-10,15-20H2,1H3,(H2,34,35,36,37)