[4-[(2-methylpropylamino)methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[(2-methylpropylamino)methyl]phenyl] ethanesulfonate Openeye Name: [4-[(isobutylamino)methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[(2-methylpropylamino)methyl]phenyl] ester IUPAC Name: [4-[(2-methylpropylamino)methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[(isobutylamino)methyl]phenyl] ester Formula: C13H21NO3S MolecularWeight: 271.37574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=C(C=C1)CNCC(C)C

Isomeric SMILES

CCS(=O)(=O)OC1=CC=C(C=C1)CNCC(C)C

InChI

InChI=1S/C13H21NO3S/c1-4-18(15,16)17-13-7-5-12(6-8-13)10-14-9-11(2)3/h5-8,11,14H,4,9-10H2,1-3H3