[4-[[[(2S)-butan-2-yl]-(3-cyclopentylpropanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[[(2S)-butan-2-yl]-(3-cyclopentylpropanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[3-cyclopentylpropanoyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(2S)-butan-2-yl]-(3-cyclopentyl-1-oxopropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[[(2S)-butan-2-yl]-(3-cyclopentylpropanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[3-cyclopentylpropanoyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C20H31NO4S MolecularWeight: 381.52944

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)CCC2CCCC2

Isomeric SMILES

CC[C@H](C)N(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)CCC2CCCC2

InChI

InChI=1S/C20H31NO4S/c1-4-16(2)21(20(22)14-11-17-7-5-6-8-17)15-18-9-12-19(13-10-18)25-26(3,23)24/h9-10,12-13,16-17H,4-8,11,14-15H2,1-3H3/t16-/m0/s1