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

Systemtic Name: 2-[hexyl(isoquinolin-5-ylsulfonyl)amino]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[hexyl(5-isoquinolylsulfonyl)amino]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[hexyl(5-isoquinolinylsulfonyl)amino]ethyl ester IUPAC Name: 2-[hexyl(isoquinolin-5-ylsulfonyl)amino]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[hexyl(5-isoquinolylsulfonyl)amino]ethyl ester Formula: C24H30N2O5S2 MolecularWeight: 490.6354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O5S2/c1-3-4-5-6-16-26(17-18-31-33(29,30)22-12-10-20(2)11-13-22)32(27,28)24-9-7-8-21-19-25-15-14-23(21)24/h7-15,19H,3-6,16-18H2,1-2H3