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

Systemtic Name: 3-[hexyl(isoquinolin-5-ylsulfonyl)amino]propyl 4-methylbenzenesulfonate Openeye Name: 3-[hexyl(5-isoquinolylsulfonyl)amino]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[hexyl(5-isoquinolinylsulfonyl)amino]propyl ester IUPAC Name: 3-[hexyl(isoquinolin-5-ylsulfonyl)amino]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[hexyl(5-isoquinolylsulfonyl)amino]propyl ester Formula: C25H32N2O5S2 MolecularWeight: 504.66198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O5S2/c1-3-4-5-6-17-27(18-8-19-32-34(30,31)23-13-11-21(2)12-14-23)33(28,29)25-10-7-9-22-20-26-16-15-24(22)25/h7,9-16,20H,3-6,8,17-19H2,1-2H3