N-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-1-isoquinolin-5-yl-N-methyl-methanamine

Systemtic Name: N-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-1-isoquinolin-5-yl-N-methyl-methanamine Openeye Name: N-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-1-(5-isoquinolyl)-N-methyl-methanamine CAS Name: N-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)-4-imidazolyl]methyl]-1-(5-isoquinolinyl)-N-methylmethanamine IUPAC Name: N-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-1-isoquinolin-5-yl-N-methylmethanamine Traditional Name: 5-isoquinolylmethyl-[[3-(2-methoxyethyl)-2-neopentylsulfonyl-imidazol-4-yl]methyl]-methyl-amine Formula: C23H32N4O3S MolecularWeight: 444.59018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CS(=O)(=O)C1=NC=C(N1CCOC)CN(C)CC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC(C)(C)CS(=O)(=O)C1=NC=C(N1CCOC)CN(C)CC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C23H32N4O3S/c1-23(2,3)17-31(28,29)22-25-14-20(27(22)11-12-30-5)16-26(4)15-19-8-6-7-18-13-24-10-9-21(18)19/h6-10,13-14H,11-12,15-17H2,1-5H3