[3-[methylcarbamoyl-[(4-tetradecoxyphenyl)methyl]amino]phenyl]methyl methanesulfonate

Systemtic Name: [3-[methylcarbamoyl-[(4-tetradecoxyphenyl)methyl]amino]phenyl]methyl methanesulfonate Openeye Name: [3-[methylcarbamoyl-[(4-tetradecoxyphenyl)methyl]amino]phenyl]methyl methanesulfonate CAS Name: methanesulfonic acid [3-[methylcarbamoyl-[(4-tetradecoxyphenyl)methyl]amino]phenyl]methyl ester IUPAC Name: [3-[methylcarbamoyl-[(4-tetradecoxyphenyl)methyl]amino]phenyl]methyl methanesulfonate Traditional Name: methanesulfonic acid [3-[methylcarbamoyl-(4-myristyloxybenzyl)amino]benzyl] ester Formula: C31H48N2O5S MolecularWeight: 560.78822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H48N2O5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-23-37-30-21-19-27(20-22-30)25-33(31(34)32-2)29-18-16-17-28(24-29)26-38-39(3,35)36/h16-22,24H,4-15,23,25-26H2,1-3H3,(H,32,34)