isoquinolin-1-ylmethyl 4-methylbenzenesulfonate

Systemtic Name: isoquinolin-1-ylmethyl 4-methylbenzenesulfonate Openeye Name: 1-isoquinolylmethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-isoquinolinylmethyl ester IUPAC Name: isoquinolin-1-ylmethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-isoquinolylmethyl ester Formula: C17H15NO3S MolecularWeight: 313.3709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2=NC=CC3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C17H15NO3S/c1-13-6-8-15(9-7-13)22(19,20)21-12-17-16-5-3-2-4-14(16)10-11-18-17/h2-11H,12H2,1H3