[4-[[[(2S)-butan-2-yl]-(2-methylpropanoyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[[(2S)-butan-2-yl]-(2-methylpropanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[2-methylpropanoyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[(2S)-butan-2-yl]-(2-methyl-1-oxopropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[[(2S)-butan-2-yl]-(2-methylpropanoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[isobutyryl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C17H27NO4S MolecularWeight: 341.46558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO4S/c1-6-14(5)18(17(19)13(3)4)12-15-8-10-16(11-9-15)22-23(20,21)7-2/h8-11,13-14H,6-7,12H2,1-5H3/t14-/m0/s1