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

Systemtic Name: 2-[hexyl(isoquinolin-5-ylsulfonyl)amino]hexyl 4-methylbenzenesulfonate Openeye Name: 2-[hexyl(5-isoquinolylsulfonyl)amino]hexyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[hexyl(5-isoquinolinylsulfonyl)amino]hexyl ester IUPAC Name: 2-[hexyl(isoquinolin-5-ylsulfonyl)amino]hexyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[hexyl(5-isoquinolylsulfonyl)amino]hexyl ester Formula: C28H38N2O5S2 MolecularWeight: 546.74172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38N2O5S2/c1-4-6-8-9-20-30(36(31,32)28-13-10-11-24-21-29-19-18-27(24)28)25(12-7-5-2)22-35-37(33,34)26-16-14-23(3)15-17-26/h10-11,13-19,21,25H,4-9,12,20,22H2,1-3H3