3-[2-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]-4-methylsulfonyl-N-naphthalen-1-yl-piperazine-1-carboxamide

Systemtic Name: 3-[2-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]-4-methylsulfonyl-N-naphthalen-1-yl-piperazine-1-carboxamide Openeye Name: 3-[2-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]-4-methylsulfonyl-N-(1-naphthyl)piperazine-1-carboxamide CAS Name: 3-[2-[[4-(1-benzimidazolyl)-2-pyrimidinyl]amino]ethyl]-4-methylsulfonyl-N-(1-naphthalenyl)-1-piperazinecarboxamide IUPAC Name: 3-[2-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]-4-methylsulfonyl-N-naphthalen-1-ylpiperazine-1-carboxamide Traditional Name: 3-[2-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]-4-mesyl-N-(1-naphthyl)piperazine-1-carboxamide Formula: C29H30N8O3S MolecularWeight: 570.6653

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1CCNC2=NC=CC(=N2)N3C=NC4=CC=CC=C43)C(=O)NC5=CC=CC6=CC=CC=C65

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1CCNC2=NC=CC(=N2)N3C=NC4=CC=CC=C43)C(=O)NC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C29H30N8O3S/c1-41(39,40)37-18-17-35(29(38)33-24-11-6-8-21-7-2-3-9-23(21)24)19-22(37)13-15-30-28-31-16-14-27(34-28)36-20-32-25-10-4-5-12-26(25)36/h2-12,14,16,20,22H,13,15,17-19H2,1H3,(H,33,38)(H,30,31,34)