[4-[[[(2S)-butan-2-yl]-(ethylcarbamoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[[(2S)-butan-2-yl]-(ethylcarbamoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[ethylcarbamoyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(2S)-butan-2-yl]-(ethylcarbamoyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[[(2S)-butan-2-yl]-(ethylcarbamoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[ethylcarbamoyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C15H24N2O4S MolecularWeight: 328.42706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)N(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)NCC

InChI

InChI=1S/C15H24N2O4S/c1-5-12(3)17(15(18)16-6-2)11-13-7-9-14(10-8-13)21-22(4,19)20/h7-10,12H,5-6,11H2,1-4H3,(H,16,18)/t12-/m0/s1