5-(3,6-diazabicyclo[3.2.1]octan-3-ylsulfonyl)-4-methyl-isoquinoline

Systemtic Name: 5-(3,6-diazabicyclo[3.2.1]octan-3-ylsulfonyl)-4-methyl-isoquinoline Openeye Name: 5-(3,6-diazabicyclo[3.2.1]octan-3-ylsulfonyl)-4-methyl-isoquinoline CAS Name: 5-(3,6-diazabicyclo[3.2.1]octan-3-ylsulfonyl)-4-methylisoquinoline IUPAC Name: 5-(3,6-diazabicyclo[3.2.1]octan-3-ylsulfonyl)-4-methylisoquinoline Traditional Name: 5-(3,6-diazabicyclo[3.2.1]octan-3-ylsulfonyl)-4-methyl-isoquinoline Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N3CC4CC(C3)NC4

Isomeric SMILES

CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N3CC4CC(C3)NC4

InChI

InChI=1S/C16H19N3O2S/c1-11-6-17-8-13-3-2-4-15(16(11)13)22(20,21)19-9-12-5-14(10-19)18-7-12/h2-4,6,8,12,14,18H,5,7,9-10H2,1H3