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

Systemtic Name: [4-[[[(2S)-butan-2-yl]-(phenylcarbonyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[benzoyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[benzoyl-[(2S)-butan-2-yl]amino]methyl]phenyl] ester IUPAC Name: [4-[[benzoyl-[(2S)-butan-2-yl]amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[benzoyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C20H25NO4S MolecularWeight: 375.4818

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)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)N(CC1=CC=C(C=C1)OS(=O)(=O)CC)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H25NO4S/c1-4-16(3)21(20(22)18-9-7-6-8-10-18)15-17-11-13-19(14-12-17)25-26(23,24)5-2/h6-14,16H,4-5,15H2,1-3H3/t16-/m0/s1