[3-[[[(2R)-butan-2-yl]-pentanoyl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[[(2R)-butan-2-yl]-pentanoyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[[(1R)-1-methylpropyl]-pentanoyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(2R)-butan-2-yl]-(1-oxopentyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[[(2R)-butan-2-yl]-pentanoylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[[(1R)-1-methylpropyl]-valeryl-amino]methyl]phenyl] ester Formula: C18H29NO4S MolecularWeight: 355.49216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO4S/c1-5-8-12-18(20)19(15(4)6-2)14-16-10-9-11-17(13-16)23-24(21,22)7-3/h9-11,13,15H,5-8,12,14H2,1-4H3/t15-/m1/s1