1-isoquinolin-5-yl-N-methyl-N-[[2-methylsulfonyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]methanamine

Systemtic Name: 1-isoquinolin-5-yl-N-methyl-N-[[2-methylsulfonyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]methanamine Openeye Name: 1-(5-isoquinolyl)-N-methyl-N-[[2-methylsulfonyl-3-(tetrahydrofuran-2-ylmethyl)imidazol-4-yl]methyl]methanamine CAS Name: 1-(5-isoquinolinyl)-N-methyl-N-[[2-methylsulfonyl-3-(2-oxolanylmethyl)-4-imidazolyl]methyl]methanamine IUPAC Name: 1-isoquinolin-5-yl-N-methyl-N-[[2-methylsulfonyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]methanamine Traditional Name: 5-isoquinolylmethyl-[[2-mesyl-3-(tetrahydrofurfuryl)imidazol-4-yl]methyl]-methyl-amine Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC2=C1C=CN=C2)CC3=CN=C(N3CC4CCCO4)S(=O)(=O)C

Isomeric SMILES

CN(CC1=CC=CC2=C1C=CN=C2)CC3=CN=C(N3CC4CCCO4)S(=O)(=O)C

InChI

InChI=1S/C21H26N4O3S/c1-24(13-17-6-3-5-16-11-22-9-8-20(16)17)14-18-12-23-21(29(2,26)27)25(18)15-19-7-4-10-28-19/h3,5-6,8-9,11-12,19H,4,7,10,13-15H2,1-2H3