2-[6-[(E)-prop-1-enyl]quinolin-5-yl]oxybut-3-enyl 4-methylbenzenesulfonate

Systemtic Name: 2-[6-[(E)-prop-1-enyl]quinolin-5-yl]oxybut-3-enyl 4-methylbenzenesulfonate Openeye Name: 2-[[6-[(E)-prop-1-enyl]-5-quinolyl]oxy]but-3-enyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[[6-[(E)-prop-1-enyl]-5-quinolinyl]oxy]but-3-enyl ester IUPAC Name: 2-[6-[(E)-prop-1-enyl]quinolin-5-yl]oxybut-3-enyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[[6-[(E)-prop-1-enyl]-5-quinolyl]oxy]but-3-enyl ester Formula: C23H23NO4S MolecularWeight: 409.49802

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=C(C2=C(C=C1)N=CC=C2)OC(COS(=O)(=O)C3=CC=C(C=C3)C)C=C

Isomeric SMILES

C/C=C/C1=C(C2=C(C=C1)N=CC=C2)OC(COS(=O)(=O)C3=CC=C(C=C3)C)C=C

InChI

InChI=1S/C23H23NO4S/c1-4-7-18-11-14-22-21(8-6-15-24-22)23(18)28-19(5-2)16-27-29(25,26)20-12-9-17(3)10-13-20/h4-15,19H,2,16H2,1,3H3/b7-4+