[3-[[[(2S)-butan-2-yl]-(phenylcarbamoyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[[(2S)-butan-2-yl]-(phenylcarbamoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[[(1S)-1-methylpropyl]-(phenylcarbamoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[anilino(oxo)methyl]-[(2S)-butan-2-yl]amino]methyl]phenyl] ester IUPAC Name: [3-[[[(2S)-butan-2-yl]-(phenylcarbamoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[[(1S)-1-methylpropyl]-(phenylcarbamoyl)amino]methyl]phenyl] ester Formula: C20H26N2O4S MolecularWeight: 390.49644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)CC)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)N(CC1=CC(=CC=C1)OS(=O)(=O)CC)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C20H26N2O4S/c1-4-16(3)22(20(23)21-18-11-7-6-8-12-18)15-17-10-9-13-19(14-17)26-27(24,25)5-2/h6-14,16H,4-5,15H2,1-3H3,(H,21,23)/t16-/m0/s1