2-[hexyl(isoquinolin-5-ylsulfonyl)amino]propyl 4-methylbenzenesulfonate

Systemtic Name: 2-[hexyl(isoquinolin-5-ylsulfonyl)amino]propyl 4-methylbenzenesulfonate Openeye Name: 2-[hexyl(5-isoquinolylsulfonyl)amino]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[hexyl(5-isoquinolinylsulfonyl)amino]propyl ester IUPAC Name: 2-[hexyl(isoquinolin-5-ylsulfonyl)amino]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[hexyl(5-isoquinolylsulfonyl)amino]propyl ester Formula: C25H32N2O5S2 MolecularWeight: 504.66198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C(C)COS(=O)(=O)C1=CC=C(C=C1)C)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCCCCCN(C(C)COS(=O)(=O)C1=CC=C(C=C1)C)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C25H32N2O5S2/c1-4-5-6-7-17-27(21(3)19-32-34(30,31)23-13-11-20(2)12-14-23)33(28,29)25-10-8-9-22-18-26-16-15-24(22)25/h8-16,18,21H,4-7,17,19H2,1-3H3