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

Systemtic Name: 6-[isoquinolin-5-ylsulfonyl(pentyl)amino]hexyl 4-methylbenzenesulfonate Openeye Name: 6-[5-isoquinolylsulfonyl(pentyl)amino]hexyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 6-[5-isoquinolinylsulfonyl(pentyl)amino]hexyl ester IUPAC Name: 6-[isoquinolin-5-ylsulfonyl(pentyl)amino]hexyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 6-[amyl(5-isoquinolylsulfonyl)amino]hexyl ester Formula: C27H36N2O5S2 MolecularWeight: 532.71514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCCCOS(=O)(=O)C1=CC=C(C=C1)C)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCCCCN(CCCCCCOS(=O)(=O)C1=CC=C(C=C1)C)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C27H36N2O5S2/c1-3-4-7-19-29(35(30,31)27-12-10-11-24-22-28-18-17-26(24)27)20-8-5-6-9-21-34-36(32,33)25-15-13-23(2)14-16-25/h10-18,22H,3-9,19-21H2,1-2H3