3-[4-[[(4-chloranylphenoxy)carbonyl-methyl-amino]methyl]cyclohexyl]prop-2-ynyl methanesulfonate

Systemtic Name: 3-[4-[[(4-chloranylphenoxy)carbonyl-methyl-amino]methyl]cyclohexyl]prop-2-ynyl methanesulfonate Openeye Name: 3-[4-[[(4-chlorophenoxy)carbonyl-methyl-amino]methyl]cyclohexyl]prop-2-ynyl methanesulfonate CAS Name: methanesulfonic acid 3-[4-[[[(4-chlorophenoxy)-oxomethyl]-methylamino]methyl]cyclohexyl]prop-2-ynyl ester IUPAC Name: 3-[4-[[(4-chlorophenoxy)carbonyl-methylamino]methyl]cyclohexyl]prop-2-ynyl methanesulfonate Traditional Name: methanesulfonic acid 3-[4-[[(4-chlorophenoxy)carbonyl-methyl-amino]methyl]cyclohexyl]prop-2-ynyl ester Formula: C19H24ClNO5S MolecularWeight: 413.91556

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCC(CC1)C#CCOS(=O)(=O)C)C(=O)OC2=CC=C(C=C2)Cl

Isomeric SMILES

CN(CC1CCC(CC1)C#CCOS(=O)(=O)C)C(=O)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H24ClNO5S/c1-21(19(22)26-18-11-9-17(20)10-12-18)14-16-7-5-15(6-8-16)4-3-13-25-27(2,23)24/h9-12,15-16H,5-8,13-14H2,1-2H3