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

Systemtic Name: [4-[[butyl-[(2S)-2-ethylhexanoyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[butyl-[(2S)-2-ethylhexanoyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[butyl-[(2S)-2-ethyl-1-oxohexyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[butyl-[(2S)-2-ethylhexanoyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[butyl-[(2S)-2-ethylhexanoyl]amino]methyl]phenyl] ester Formula: C20H33NO4S MolecularWeight: 383.54532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33NO4S/c1-5-8-10-18(7-3)20(22)21(15-9-6-2)16-17-11-13-19(14-12-17)25-26(4,23)24/h11-14,18H,5-10,15-16H2,1-4H3/t18-/m0/s1