2-[[3-(oxolan-2-ylmethyl)-2-propylsulfonyl-imidazol-4-yl]methyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[[3-(oxolan-2-ylmethyl)-2-propylsulfonyl-imidazol-4-yl]methyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[[2-propylsulfonyl-3-(tetrahydrofuran-2-ylmethyl)imidazol-4-yl]methyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[[3-(2-oxolanylmethyl)-2-propylsulfonyl-4-imidazolyl]methyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[[2-propylsulfonyl-3-(tetrahydrofurfuryl)imidazol-4-yl]methyl]-3,4-dihydro-1H-isoquinoline Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=NC=C(N1CC2CCCO2)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

CCCS(=O)(=O)C1=NC=C(N1CC2CCCO2)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H29N3O3S/c1-2-12-28(25,26)21-22-13-19(24(21)16-20-8-5-11-27-20)15-23-10-9-17-6-3-4-7-18(17)14-23/h3-4,6-7,13,20H,2,5,8-12,14-16H2,1H3