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

Systemtic Name: [4-[[heptanoyl-(phenylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[benzyl(heptanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[1-oxoheptyl-(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[benzyl(heptanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[benzyl(enanthyl)amino]methyl]phenyl] ester Formula: C22H29NO4S MolecularWeight: 403.53496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO4S/c1-3-4-5-9-12-22(24)23(17-19-10-7-6-8-11-19)18-20-13-15-21(16-14-20)27-28(2,25)26/h6-8,10-11,13-16H,3-5,9,12,17-18H2,1-2H3