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

Systemtic Name: 5-[ethyl(isoquinolin-5-ylsulfonyl)amino]pentyl 4-methylbenzenesulfonate Openeye Name: 5-[ethyl(5-isoquinolylsulfonyl)amino]pentyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 5-[ethyl(5-isoquinolinylsulfonyl)amino]pentyl ester IUPAC Name: 5-[ethyl(isoquinolin-5-ylsulfonyl)amino]pentyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 5-[ethyl(5-isoquinolylsulfonyl)amino]pentyl ester Formula: C23H28N2O5S2 MolecularWeight: 476.60882

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCCOS(=O)(=O)C1=CC=C(C=C1)C)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCN(CCCCCOS(=O)(=O)C1=CC=C(C=C1)C)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C23H28N2O5S2/c1-3-25(31(26,27)23-9-7-8-20-18-24-15-14-22(20)23)16-5-4-6-17-30-32(28,29)21-12-10-19(2)11-13-21/h7-15,18H,3-6,16-17H2,1-2H3