5-(3,6-diazabicyclo[3.2.2]nonan-3-ylsulfonyl)-4-methyl-isoquinoline

Systemtic Name: 5-(3,6-diazabicyclo[3.2.2]nonan-3-ylsulfonyl)-4-methyl-isoquinoline Openeye Name: 5-(3,6-diazabicyclo[3.2.2]nonan-3-ylsulfonyl)-4-methyl-isoquinoline CAS Name: 5-(3,6-diazabicyclo[3.2.2]nonan-3-ylsulfonyl)-4-methylisoquinoline IUPAC Name: 5-(3,6-diazabicyclo[3.2.2]nonan-3-ylsulfonyl)-4-methylisoquinoline Traditional Name: 5-(3,6-diazabicyclo[3.2.2]nonan-3-ylsulfonyl)-4-methyl-isoquinoline Formula: C17H21N3O2S MolecularWeight: 331.43254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N3CC4CCC(C3)NC4

Isomeric SMILES

CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N3CC4CCC(C3)NC4

InChI

InChI=1S/C17H21N3O2S/c1-12-7-18-9-14-3-2-4-16(17(12)14)23(21,22)20-10-13-5-6-15(11-20)19-8-13/h2-4,7,9,13,15,19H,5-6,8,10-11H2,1H3