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

Systemtic Name: [4-[[(phenylmethyl)-propanoyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[benzyl(propanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[1-oxopropyl-(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[benzyl(propanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[benzyl(propionyl)amino]methyl]phenyl] ester Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO4S/c1-3-18(20)19(13-15-7-5-4-6-8-15)14-16-9-11-17(12-10-16)23-24(2,21)22/h4-12H,3,13-14H2,1-2H3