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

Systemtic Name: [5-[[butan-2-yl(2-chloranylpropanoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[2-chloropropanoyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[butan-2-yl-(2-chloro-1-oxopropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl(2-chloropropanoyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[2-chloropropanoyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C17H26ClNO5S MolecularWeight: 391.91004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26ClNO5S/c1-6-12(3)19(17(20)13(4)18)11-14-8-9-15(23-5)16(10-14)24-25(21,22)7-2/h8-10,12-13H,6-7,11H2,1-5H3