[4-[[1-adamantylcarbonyl-[(2S)-butan-2-yl]amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[1-adamantylcarbonyl-[(2S)-butan-2-yl]amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[adamantane-1-carbonyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[1-adamantyl(oxo)methyl]-[(2S)-butan-2-yl]amino]methyl]phenyl] ester IUPAC Name: [4-[[adamantane-1-carbonyl-[(2S)-butan-2-yl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[adamantane-1-carbonyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C23H33NO4S MolecularWeight: 419.57742

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC[C@H](C)N(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H33NO4S/c1-4-16(2)24(15-17-5-7-21(8-6-17)28-29(3,26)27)22(25)23-12-18-9-19(13-23)11-20(10-18)14-23/h5-8,16,18-20H,4,9-15H2,1-3H3/t16-,18?,19?,20?,23?/m0/s1