N-[[2-(bromomethylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]cyclohexanecarboxamide

Systemtic Name: N-[[2-(bromomethylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]cyclohexanecarboxamide Openeye Name: N-[[2-(bromomethylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]cyclohexanecarboxamide CAS Name: N-[[2-(bromomethylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]cyclohexanecarboxamide IUPAC Name: N-[[2-(bromomethylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]cyclohexanecarboxamide Traditional Name: N-[[2-(bromomethylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]cyclohexanecarboxamide Formula: C18H25BrN2O3S MolecularWeight: 429.3717

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NCC2C3=CC=CC=C3CCN2S(=O)(=O)CBr

Isomeric SMILES

C1CCC(CC1)C(=O)NCC2C3=CC=CC=C3CCN2S(=O)(=O)CBr

InChI

InChI=1S/C18H25BrN2O3S/c19-13-25(23,24)21-11-10-14-6-4-5-9-16(14)17(21)12-20-18(22)15-7-2-1-3-8-15/h4-6,9,15,17H,1-3,7-8,10-13H2,(H,20,22)