[4-[[[(2S)-2-ethylhexanoyl]-propan-2-yl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[[(2S)-2-ethylhexanoyl]-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[[(2S)-2-ethylhexanoyl]-isopropyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[(2S)-2-ethyl-1-oxohexyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[[(2S)-2-ethylhexanoyl]-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[[(2S)-2-ethylhexanoyl]-isopropyl-amino]methyl]phenyl] ester Formula: C20H33NO4S MolecularWeight: 383.54532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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