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

Systemtic Name: [2-[(butan-2-ylamino)methyl]-5-(diethylamino)phenyl] ethanesulfonate Openeye Name: [5-(diethylamino)-2-[(sec-butylamino)methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-[(butan-2-ylamino)methyl]-5-(diethylamino)phenyl] ester IUPAC Name: [2-[(butan-2-ylamino)methyl]-5-(diethylamino)phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-(diethylamino)-2-[(sec-butylamino)methyl]phenyl] ester Formula: C17H30N2O3S MolecularWeight: 342.4967

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H30N2O3S/c1-6-14(5)18-13-15-10-11-16(19(7-2)8-3)12-17(15)22-23(20,21)9-4/h10-12,14,18H,6-9,13H2,1-5H3