1-isoquinolin-5-ylsulfonyl-N'-(4-phenylbutyl)propane-1,3-diamine

Systemtic Name: 1-isoquinolin-5-ylsulfonyl-N'-(4-phenylbutyl)propane-1,3-diamine Openeye Name: 1-(5-isoquinolylsulfonyl)-N'-(4-phenylbutyl)propane-1,3-diamine CAS Name: 1-(5-isoquinolinylsulfonyl)-N'-(4-phenylbutyl)propane-1,3-diamine IUPAC Name: 1-isoquinolin-5-ylsulfonyl-N'-(4-phenylbutyl)propane-1,3-diamine Traditional Name: [3-amino-3-(5-isoquinolylsulfonyl)propyl]-(4-phenylbutyl)amine Formula: C22H27N3O2S MolecularWeight: 397.53368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCNCCC(N)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCCNCCC(N)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C22H27N3O2S/c23-22(13-16-24-14-5-4-9-18-7-2-1-3-8-18)28(26,27)21-11-6-10-19-17-25-15-12-20(19)21/h1-3,6-8,10-12,15,17,22,24H,4-5,9,13-14,16,23H2