5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-isoquinoline

Systemtic Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-isoquinoline Openeye Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-isoquinoline CAS Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-methylisoquinoline IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-methylisoquinoline Traditional Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-isoquinoline Formula: C15H19N3O2S MolecularWeight: 305.39526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N3CCCNCC3

Isomeric SMILES

CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N3CCCNCC3

InChI

InChI=1S/C15H19N3O2S/c1-12-10-17-11-13-4-2-5-14(15(12)13)21(19,20)18-8-3-6-16-7-9-18/h2,4-5,10-11,16H,3,6-9H2,1H3