[3-[[[(2S)-2-chloranylpropanoyl]-propan-2-yl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[[(2S)-2-chloranylpropanoyl]-propan-2-yl-amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[[(2S)-2-chloropropanoyl]-isopropyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[(2S)-2-chloro-1-oxopropyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[[(2S)-2-chloropropanoyl]-propan-2-ylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[[(2S)-2-chloropropanoyl]-isopropyl-amino]methyl]phenyl] ester Formula: C14H20ClNO4S MolecularWeight: 333.8309

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20ClNO4S/c1-10(2)16(14(17)11(3)15)9-12-6-5-7-13(8-12)20-21(4,18)19/h5-8,10-11H,9H2,1-4H3/t11-/m0/s1