2-(5-sulfamoylisoquinolin-1-yl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(5-sulfamoylisoquinolin-1-yl)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(5-sulfamoyl-1-isoquinolyl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(5-sulfamoyl-1-isoquinolinyl)ethyl ester IUPAC Name: 2-(5-sulfamoylisoquinolin-1-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(5-sulfamoyl-1-isoquinolyl)ethyl ester Formula: C18H18N2O5S2 MolecularWeight: 406.47592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=NC=CC3=C2C=CC=C3S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=NC=CC3=C2C=CC=C3S(=O)(=O)N

InChI

InChI=1S/C18H18N2O5S2/c1-13-5-7-14(8-6-13)27(23,24)25-12-10-17-15-3-2-4-18(26(19,21)22)16(15)9-11-20-17/h2-9,11H,10,12H2,1H3,(H2,19,21,22)