[4-[(3-methylbutylamino)methyl]phenyl] methanesulfonate

Systemtic Name: [4-[(3-methylbutylamino)methyl]phenyl] methanesulfonate Openeye Name: [4-[(isopentylamino)methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[(3-methylbutylamino)methyl]phenyl] ester IUPAC Name: [4-[(3-methylbutylamino)methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[(isoamylamino)methyl]phenyl] ester Formula: C13H21NO3S MolecularWeight: 271.37574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNCC1=CC=C(C=C1)OS(=O)(=O)C

Isomeric SMILES

CC(C)CCNCC1=CC=C(C=C1)OS(=O)(=O)C

InChI

InChI=1S/C13H21NO3S/c1-11(2)8-9-14-10-12-4-6-13(7-5-12)17-18(3,15)16/h4-7,11,14H,8-10H2,1-3H3