[4-[[ethylcarbamoyl(3-methylbutyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[ethylcarbamoyl(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[ethylcarbamoyl(isopentyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[ethylcarbamoyl(3-methylbutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[ethylcarbamoyl(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[ethylcarbamoyl(isoamyl)amino]methyl]phenyl] ester Formula: C16H26N2O4S MolecularWeight: 342.45364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N(CCC(C)C)CC1=CC=C(C=C1)OS(=O)(=O)C

Isomeric SMILES

CCNC(=O)N(CCC(C)C)CC1=CC=C(C=C1)OS(=O)(=O)C

InChI

InChI=1S/C16H26N2O4S/c1-5-17-16(19)18(11-10-13(2)3)12-14-6-8-15(9-7-14)22-23(4,20)21/h6-9,13H,5,10-12H2,1-4H3,(H,17,19)