[2-methoxy-4-[(Z)-piperidin-1-yliminomethyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [2-methoxy-4-[(Z)-piperidin-1-yliminomethyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [2-methoxy-4-[(Z)-1-piperidyliminomethyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [2-methoxy-4-[(Z)-1-piperidinyliminomethyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(Z)-piperidin-1-yliminomethyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [2-methoxy-4-[(Z)-piperidinoiminomethyl]phenyl] ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-16-7-8-17(2)21(13-16)28(24,25)27-19-10-9-18(14-20(19)26-3)15-22-23-11-5-4-6-12-23/h7-10,13-15H,4-6,11-12H2,1-3H3/b22-15-