4-[4-[[(4-chloranylphenoxy)carbonyl-methyl-amino]methyl]cyclohexyl]oxybutyl methanesulfonate

Systemtic Name: 4-[4-[[(4-chloranylphenoxy)carbonyl-methyl-amino]methyl]cyclohexyl]oxybutyl methanesulfonate Openeye Name: 4-[4-[[(4-chlorophenoxy)carbonyl-methyl-amino]methyl]cyclohexoxy]butyl methanesulfonate CAS Name: methanesulfonic acid 4-[4-[[[(4-chlorophenoxy)-oxomethyl]-methylamino]methyl]cyclohexyl]oxybutyl ester IUPAC Name: 4-[4-[[(4-chlorophenoxy)carbonyl-methylamino]methyl]cyclohexyl]oxybutyl methanesulfonate Traditional Name: methanesulfonic acid 4-[4-[[(4-chlorophenoxy)carbonyl-methyl-amino]methyl]cyclohexoxy]butyl ester Formula: C20H30ClNO6S MolecularWeight: 447.9733

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30ClNO6S/c1-22(20(23)28-19-11-7-17(21)8-12-19)15-16-5-9-18(10-6-16)26-13-3-4-14-27-29(2,24)25/h7-8,11-12,16,18H,3-6,9-10,13-15H2,1-2H3