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

Systemtic Name: [2-methoxy-5-[(propan-2-ylamino)methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [5-[(isopropylamino)methyl]-2-methoxy-phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [2-methoxy-5-[(propan-2-ylamino)methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[(propan-2-ylamino)methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [5-[(isopropylamino)methyl]-2-methoxy-phenyl] ester Formula: C18H23NO5S MolecularWeight: 365.44392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)NCC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H23NO5S/c1-13(2)19-12-14-5-10-17(23-4)18(11-14)24-25(20,21)16-8-6-15(22-3)7-9-16/h5-11,13,19H,12H2,1-4H3