[4-[[nonanoyl-(phenylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[nonanoyl-(phenylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[benzyl(nonanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[1-oxononyl-(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[benzyl(nonanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[benzyl(pelargonyl)amino]methyl]phenyl] ester Formula: C24H33NO4S MolecularWeight: 431.58812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)N(CC1=CC=CC=C1)CC2=CC=C(C=C2)OS(=O)(=O)C

Isomeric SMILES

CCCCCCCCC(=O)N(CC1=CC=CC=C1)CC2=CC=C(C=C2)OS(=O)(=O)C

InChI

InChI=1S/C24H33NO4S/c1-3-4-5-6-7-11-14-24(26)25(19-21-12-9-8-10-13-21)20-22-15-17-23(18-16-22)29-30(2,27)28/h8-10,12-13,15-18H,3-7,11,14,19-20H2,1-2H3