[5-[[[(2S)-butan-2-yl]-(cyclohexylcarbamoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[[(2S)-butan-2-yl]-(cyclohexylcarbamoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[cyclohexylcarbamoyl-[(1S)-1-methylpropyl]amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[(2S)-butan-2-yl]-[(cyclohexylamino)-oxomethyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[[(2S)-butan-2-yl]-(cyclohexylcarbamoyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[cyclohexylcarbamoyl-[(1S)-1-methylpropyl]amino]methyl]-2-methoxy-phenyl] ester Formula: C20H32N2O5S MolecularWeight: 412.54348

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)NC2CCCCC2

Isomeric SMILES

CC[C@H](C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)NC2CCCCC2

InChI

InChI=1S/C20H32N2O5S/c1-5-15(2)22(20(23)21-17-9-7-6-8-10-17)14-16-11-12-18(26-3)19(13-16)27-28(4,24)25/h11-13,15,17H,5-10,14H2,1-4H3,(H,21,23)/t15-/m0/s1