[3-[[butylcarbamoyl(propan-2-yl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[butylcarbamoyl(propan-2-yl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[butylcarbamoyl(isopropyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[butylamino(oxo)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[butylcarbamoyl(propan-2-yl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[butylcarbamoyl(isopropyl)amino]methyl]phenyl] ester Formula: C16H26N2O4S MolecularWeight: 342.45364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O4S/c1-5-6-10-17-16(19)18(13(2)3)12-14-8-7-9-15(11-14)22-23(4,20)21/h7-9,11,13H,5-6,10,12H2,1-4H3,(H,17,19)