[3-[[[(2S)-butan-2-yl]-cyclohexylcarbonyl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[[(2S)-butan-2-yl]-cyclohexylcarbonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[cyclohexanecarbonyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[(2S)-butan-2-yl]-[cyclohexyl(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[[(2S)-butan-2-yl]-(cyclohexanecarbonyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[cyclohexanecarbonyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C19H29NO4S MolecularWeight: 367.50286

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)C2CCCCC2

Isomeric SMILES

CC[C@H](C)N(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)C2CCCCC2

InChI

InChI=1S/C19H29NO4S/c1-4-15(2)20(19(21)17-10-6-5-7-11-17)14-16-9-8-12-18(13-16)24-25(3,22)23/h8-9,12-13,15,17H,4-7,10-11,14H2,1-3H3/t15-/m0/s1