[3-[(2-methylpropylamino)methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[(2-methylpropylamino)methyl]phenyl] ethanesulfonate Openeye Name: [3-[(isobutylamino)methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[(2-methylpropylamino)methyl]phenyl] ester IUPAC Name: [3-[(2-methylpropylamino)methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[(isobutylamino)methyl]phenyl] ester Formula: C13H21NO3S MolecularWeight: 271.37574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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