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

Systemtic Name: [4-[[butylcarbamoyl(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[butylcarbamoyl(isopentyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[butylamino(oxo)methyl]-(3-methylbutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[butylcarbamoyl(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[butylcarbamoyl(isoamyl)amino]methyl]phenyl] ester Formula: C18H30N2O4S MolecularWeight: 370.5068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O4S/c1-5-6-12-19-18(21)20(13-11-15(2)3)14-16-7-9-17(10-8-16)24-25(4,22)23/h7-10,15H,5-6,11-14H2,1-4H3,(H,19,21)