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

Systemtic Name: 6-[hexyl(isoquinolin-5-ylsulfonyl)amino]hexyl 4-methylbenzenesulfonate Openeye Name: 6-[hexyl(5-isoquinolylsulfonyl)amino]hexyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 6-[hexyl(5-isoquinolinylsulfonyl)amino]hexyl ester IUPAC Name: 6-[hexyl(isoquinolin-5-ylsulfonyl)amino]hexyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 6-[hexyl(5-isoquinolylsulfonyl)amino]hexyl ester Formula: C28H38N2O5S2 MolecularWeight: 546.74172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38N2O5S2/c1-3-4-5-8-20-30(36(31,32)28-13-11-12-25-23-29-19-18-27(25)28)21-9-6-7-10-22-35-37(33,34)26-16-14-24(2)15-17-26/h11-19,23H,3-10,20-22H2,1-2H3