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

Systemtic Name: [4-[[butylcarbamoyl-(phenylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[benzyl(butylcarbamoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[butylamino(oxo)methyl]-(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[benzyl(butylcarbamoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[benzyl(butylcarbamoyl)amino]methyl]phenyl] ester Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4S/c1-3-4-14-21-20(23)22(15-17-8-6-5-7-9-17)16-18-10-12-19(13-11-18)26-27(2,24)25/h5-13H,3-4,14-16H2,1-2H3,(H,21,23)