5-(7,9-diazabicyclo[3.2.2]nonan-7-ylsulfonyl)-4-methyl-isoquinoline

Systemtic Name: 5-(7,9-diazabicyclo[3.2.2]nonan-7-ylsulfonyl)-4-methyl-isoquinoline Openeye Name: 5-(7,9-diazabicyclo[3.2.2]nonan-7-ylsulfonyl)-4-methyl-isoquinoline CAS Name: 5-(7,9-diazabicyclo[3.2.2]nonan-7-ylsulfonyl)-4-methylisoquinoline IUPAC Name: 5-(7,9-diazabicyclo[3.2.2]nonan-7-ylsulfonyl)-4-methylisoquinoline Traditional Name: 5-(7,9-diazabicyclo[3.2.2]nonan-7-ylsulfonyl)-4-methyl-isoquinoline Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N3CC4CCCC3CN4

Isomeric SMILES

CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N3CC4CCCC3CN4

InChI

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