[4-[[[(2S)-butan-2-yl]-cyclopropylcarbonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[[(2S)-butan-2-yl]-cyclopropylcarbonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[cyclopropanecarbonyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[[(2S)-butan-2-yl]-[cyclopropyl(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[[(2S)-butan-2-yl]-(cyclopropanecarbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[cyclopropanecarbonyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C21H24FNO4S MolecularWeight: 405.482963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3CC3

Isomeric SMILES

CC[C@H](C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3CC3

InChI

InChI=1S/C21H24FNO4S/c1-3-15(2)23(21(24)17-6-7-17)14-16-4-10-19(11-5-16)27-28(25,26)20-12-8-18(22)9-13-20/h4-5,8-13,15,17H,3,6-7,14H2,1-2H3/t15-/m0/s1