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

Systemtic Name: [4-[[decanoyl-(phenylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[benzyl(decanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[1-oxodecyl-(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[benzyl(decanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[benzyl(capryl)amino]methyl]phenyl] ester Formula: C25H35NO4S MolecularWeight: 445.6147

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35NO4S/c1-3-4-5-6-7-8-12-15-25(27)26(20-22-13-10-9-11-14-22)21-23-16-18-24(19-17-23)30-31(2,28)29/h9-11,13-14,16-19H,3-8,12,15,20-21H2,1-2H3