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

Systemtic Name: [5-(diethylamino)-2-[(2-methylpropylamino)methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [5-(diethylamino)-2-[(isobutylamino)methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [5-(diethylamino)-2-[(2-methylpropylamino)methyl]phenyl] ester IUPAC Name: [5-(diethylamino)-2-[(2-methylpropylamino)methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [5-(diethylamino)-2-[(isobutylamino)methyl]phenyl] ester Formula: C22H32N2O4S MolecularWeight: 420.56548

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)CNCC(C)C)OS(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)CNCC(C)C)OS(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C22H32N2O4S/c1-6-24(7-2)19-9-8-18(16-23-15-17(3)4)22(14-19)28-29(25,26)21-12-10-20(27-5)11-13-21/h8-14,17,23H,6-7,15-16H2,1-5H3