[3-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl-ethanoyl-amino]phenyl]methyl methanesulfonate

Systemtic Name: [3-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl-ethanoyl-amino]phenyl]methyl methanesulfonate Openeye Name: [3-[acetyl-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]amino]phenyl]methyl methanesulfonate CAS Name: methanesulfonic acid [3-[acetyl-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]amino]phenyl]methyl ester IUPAC Name: [3-[acetyl-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]amino]phenyl]methyl methanesulfonate Traditional Name: methanesulfonic acid [3-[acetyl-(3-tert-butyl-4-myristyloxy-benzyl)amino]benzyl] ester Formula: C35H55NO5S MolecularWeight: 601.8799

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC(=C2)COS(=O)(=O)C)C(=O)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC(=C2)COS(=O)(=O)C)C(=O)C)C(C)(C)C

InChI

InChI=1S/C35H55NO5S/c1-7-8-9-10-11-12-13-14-15-16-17-18-24-40-34-23-22-30(26-33(34)35(3,4)5)27-36(29(2)37)32-21-19-20-31(25-32)28-41-42(6,38)39/h19-23,25-26H,7-18,24,27-28H2,1-6H3