3-[2,6-di(propan-2-yl)phenyl]hexyl (heptylcarbamoylamino)methanesulfonate

Systemtic Name: 3-[2,6-di(propan-2-yl)phenyl]hexyl (heptylcarbamoylamino)methanesulfonate Openeye Name: 3-(2,6-diisopropylphenyl)hexyl (heptylcarbamoylamino)methanesulfonate CAS Name: [[(heptylamino)-oxomethyl]amino]methanesulfonic acid 3-[2,6-di(propan-2-yl)phenyl]hexyl ester IUPAC Name: 3-[2,6-di(propan-2-yl)phenyl]hexyl (heptylcarbamoylamino)methanesulfonate Traditional Name: (heptylcarbamoylamino)methanesulfonic acid 3-(2,6-diisopropylphenyl)hexyl ester Formula: C27H48N2O4S MolecularWeight: 496.74602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)NCS(=O)(=O)OCCC(CCC)C1=C(C=CC=C1C(C)C)C(C)C

Isomeric SMILES

CCCCCCCNC(=O)NCS(=O)(=O)OCCC(CCC)C1=C(C=CC=C1C(C)C)C(C)C

InChI

InChI=1S/C27H48N2O4S/c1-7-9-10-11-12-18-28-27(30)29-20-34(31,32)33-19-17-23(14-8-2)26-24(21(3)4)15-13-16-25(26)22(5)6/h13,15-16,21-23H,7-12,14,17-20H2,1-6H3,(H2,28,29,30)