[2-methoxy-4-[(Z)-piperidin-1-yliminomethyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-methoxy-4-[(Z)-piperidin-1-yliminomethyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-methoxy-4-[(Z)-1-piperidyliminomethyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-methoxy-4-[(Z)-1-piperidinyliminomethyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(Z)-piperidin-1-yliminomethyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-methoxy-4-[(Z)-piperidinoiminomethyl]phenyl] ester Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=NN3CCCCC3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=N\N3CCCCC3)OC

InChI

InChI=1S/C20H24N2O4S/c1-16-6-9-18(10-7-16)27(23,24)26-19-11-8-17(14-20(19)25-2)15-21-22-12-4-3-5-13-22/h6-11,14-15H,3-5,12-13H2,1-2H3/b21-15-