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

Systemtic Name: 2-[isoquinolin-5-ylsulfonyl(methyl)amino]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[5-isoquinolylsulfonyl(methyl)amino]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[5-isoquinolinylsulfonyl(methyl)amino]ethyl ester IUPAC Name: 2-[isoquinolin-5-ylsulfonyl(methyl)amino]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[5-isoquinolylsulfonyl(methyl)amino]ethyl ester Formula: C19H20N2O5S2 MolecularWeight: 420.5025

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCN(C)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCN(C)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C19H20N2O5S2/c1-15-6-8-17(9-7-15)28(24,25)26-13-12-21(2)27(22,23)19-5-3-4-16-14-20-11-10-18(16)19/h3-11,14H,12-13H2,1-2H3