[3-[[[(2S)-2-chloranyl-2-phenyl-ethanoyl]-propan-2-yl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[[(2S)-2-chloranyl-2-phenyl-ethanoyl]-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[[(2S)-2-chloro-2-phenyl-acetyl]-isopropyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(2S)-2-chloro-1-oxo-2-phenylethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[[(2S)-2-chloro-2-phenylacetyl]-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[[(2S)-2-chloro-2-phenyl-acetyl]-isopropyl-amino]methyl]phenyl] ester Formula: C20H24ClNO4S MolecularWeight: 409.92686

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(C(C)C)C(=O)C(C2=CC=CC=C2)Cl

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(C(C)C)C(=O)[C@H](C2=CC=CC=C2)Cl

InChI

InChI=1S/C20H24ClNO4S/c1-4-27(24,25)26-18-12-8-9-16(13-18)14-22(15(2)3)20(23)19(21)17-10-6-5-7-11-17/h5-13,15,19H,4,14H2,1-3H3/t19-/m0/s1