2-[(1-chloranylisoquinolin-5-yl)sulfonylamino]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[(1-chloranylisoquinolin-5-yl)sulfonylamino]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[(1-chloro-5-isoquinolyl)sulfonylamino]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[(1-chloro-5-isoquinolinyl)sulfonylamino]ethyl ester IUPAC Name: 2-[(1-chloroisoquinolin-5-yl)sulfonylamino]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[(1-chloro-5-isoquinolyl)sulfonylamino]ethyl ester Formula: C18H17ClN2O5S2 MolecularWeight: 440.92098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3Cl

InChI

InChI=1S/C18H17ClN2O5S2/c1-13-5-7-14(8-6-13)28(24,25)26-12-11-21-27(22,23)17-4-2-3-16-15(17)9-10-20-18(16)19/h2-10,21H,11-12H2,1H3