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

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

CC(C1CN(CCN1S(=O)(=O)C)C(=O)NC2=CC=CC3=CC=CC=C32)NC4=NC=CC(=N4)N5C=NC6=CC=CC=C65

Isomeric SMILES

CC(C1CN(CCN1S(=O)(=O)C)C(=O)NC2=CC=CC3=CC=CC=C32)NC4=NC=CC(=N4)N5C=NC6=CC=CC=C65

InChI

InChI=1S/C29H30N8O3S/c1-20(32-28-30-15-14-27(34-28)36-19-31-24-11-5-6-13-25(24)36)26-18-35(16-17-37(26)41(2,39)40)29(38)33-23-12-7-9-21-8-3-4-10-22(21)23/h3-15,19-20,26H,16-18H2,1-2H3,(H,33,38)(H,30,32,34)