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

Systemtic Name: [2-[(butan-2-ylamino)methyl]-5-(diethylamino)phenyl] methanesulfonate Openeye Name: [5-(diethylamino)-2-[(sec-butylamino)methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-[(butan-2-ylamino)methyl]-5-(diethylamino)phenyl] ester IUPAC Name: [2-[(butan-2-ylamino)methyl]-5-(diethylamino)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-(diethylamino)-2-[(sec-butylamino)methyl]phenyl] ester Formula: C16H28N2O3S MolecularWeight: 328.47012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N2O3S/c1-6-13(4)17-12-14-9-10-15(18(7-2)8-3)11-16(14)21-22(5,19)20/h9-11,13,17H,6-8,12H2,1-5H3