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

Systemtic Name: 4-[hexyl(isoquinolin-5-ylsulfonyl)amino]pentyl 4-methylbenzenesulfonate Openeye Name: 4-[hexyl(5-isoquinolylsulfonyl)amino]pentyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-[hexyl(5-isoquinolinylsulfonyl)amino]pentyl ester IUPAC Name: 4-[hexyl(isoquinolin-5-ylsulfonyl)amino]pentyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 4-[hexyl(5-isoquinolylsulfonyl)amino]pentyl ester Formula: C27H36N2O5S2 MolecularWeight: 532.71514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O5S2/c1-4-5-6-7-19-29(35(30,31)27-12-8-11-24-21-28-18-17-26(24)27)23(3)10-9-20-34-36(32,33)25-15-13-22(2)14-16-25/h8,11-18,21,23H,4-7,9-10,19-20H2,1-3H3