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

Systemtic Name: [4-[[[(2S)-2-chloranylpropanoyl]-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[[(2S)-2-chloropropanoyl]-isopropyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[(2S)-2-chloro-1-oxopropyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[[(2S)-2-chloropropanoyl]-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[[(2S)-2-chloropropanoyl]-isopropyl-amino]methyl]phenyl] ester Formula: C15H22ClNO4S MolecularWeight: 347.85748

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=C(C=C1)CN(C(C)C)C(=O)C(C)Cl

Isomeric SMILES

CCS(=O)(=O)OC1=CC=C(C=C1)CN(C(C)C)C(=O)[C@H](C)Cl

InChI

InChI=1S/C15H22ClNO4S/c1-5-22(19,20)21-14-8-6-13(7-9-14)10-17(11(2)3)15(18)12(4)16/h6-9,11-12H,5,10H2,1-4H3/t12-/m0/s1