[2-methoxy-5-[(2-methylpropylamino)methyl]phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [2-methoxy-5-[(2-methylpropylamino)methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [5-[(isobutylamino)methyl]-2-methoxy-phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [2-methoxy-5-[(2-methylpropylamino)methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[(2-methylpropylamino)methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [5-[(isobutylamino)methyl]-2-methoxy-phenyl] ester Formula: C19H25NO5S MolecularWeight: 379.4705

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNCC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CNCC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C19H25NO5S/c1-14(2)12-20-13-15-5-10-18(24-4)19(11-15)25-26(21,22)17-8-6-16(23-3)7-9-17/h5-11,14,20H,12-13H2,1-4H3