5-[(3-phenyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline

Systemtic Name: 5-[(3-phenyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline Openeye Name: 5-[(3-phenyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline CAS Name: 5-[(3-phenyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline IUPAC Name: 5-[(3-phenyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline Traditional Name: 5-[(3-phenyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline Formula: C20H21N3O2S MolecularWeight: 367.46464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNC(CN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3)C4=CC=CC=C4

Isomeric SMILES

C1CNC(CN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O2S/c24-26(25,20-9-4-8-17-14-21-12-10-18(17)20)23-13-5-11-22-19(15-23)16-6-2-1-3-7-16/h1-4,6-10,12,14,19,22H,5,11,13,15H2