[5-[[2-chloranylpropanoyl(propan-2-yl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[2-chloranylpropanoyl(propan-2-yl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[2-chloropropanoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[(2-chloro-1-oxopropyl)-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[2-chloropropanoyl(propan-2-yl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[2-chloropropanoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C16H24ClNO5S MolecularWeight: 377.88346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24ClNO5S/c1-6-24(20,21)23-15-9-13(7-8-14(15)22-5)10-18(11(2)3)16(19)12(4)17/h7-9,11-12H,6,10H2,1-5H3