[4-[[[(2S)-2-ethylhexanoyl]-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[[(2S)-2-ethylhexanoyl]-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[[(2S)-2-ethylhexanoyl]-isopentyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(2S)-2-ethyl-1-oxohexyl]-(3-methylbutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[[(2S)-2-ethylhexanoyl]-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[[(2S)-2-ethylhexanoyl]-isoamyl-amino]methyl]phenyl] ester Formula: C21H35NO4S MolecularWeight: 397.5719

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N(CCC(C)C)CC1=CC=C(C=C1)OS(=O)(=O)C

Isomeric SMILES

CCCC[C@H](CC)C(=O)N(CCC(C)C)CC1=CC=C(C=C1)OS(=O)(=O)C

InChI

InChI=1S/C21H35NO4S/c1-6-8-9-19(7-2)21(23)22(15-14-17(3)4)16-18-10-12-20(13-11-18)26-27(5,24)25/h10-13,17,19H,6-9,14-16H2,1-5H3/t19-/m0/s1