quinolin-2-ylmethyl 4-methylbenzenesulfonate

Systemtic Name: quinolin-2-ylmethyl 4-methylbenzenesulfonate Openeye Name: 2-quinolylmethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-quinolinylmethyl ester IUPAC Name: quinolin-2-ylmethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-quinolylmethyl 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=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=NC3=CC=CC=C3C=C2

InChI

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