5-[(6-butyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline

Systemtic Name: 5-[(6-butyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline Openeye Name: 5-[(6-butyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline CAS Name: 5-[(6-butyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline IUPAC Name: 5-[(6-butyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline Traditional Name: 5-[(6-butyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline Formula: C18H25N3O2S MolecularWeight: 347.475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCCCC1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C18H25N3O2S/c1-2-3-5-15-12-20-10-11-21(14-15)24(22,23)18-7-4-6-16-13-19-9-8-17(16)18/h4,6-9,13,15,20H,2-3,5,10-12,14H2,1H3