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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O4S/c1-6-17(4)23-16-18-9-10-19(24(7-2)8-3)15-22(18)28-29(25,26)21-13-11-20(27-5)12-14-21/h9-15,17,23H,6-8,16H2,1-5H3