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

Systemtic Name: [3-[[[(2S)-butan-2-yl]-cyclopropylcarbonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[cyclopropanecarbonyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(2S)-butan-2-yl]-[cyclopropyl(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[[(2S)-butan-2-yl]-(cyclopropanecarbonyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[cyclopropanecarbonyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C17H25NO4S MolecularWeight: 339.4497

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)CC)C(=O)C2CC2

Isomeric SMILES

CC[C@H](C)N(CC1=CC(=CC=C1)OS(=O)(=O)CC)C(=O)C2CC2

InChI

InChI=1S/C17H25NO4S/c1-4-13(3)18(17(19)15-9-10-15)12-14-7-6-8-16(11-14)22-23(20,21)5-2/h6-8,11,13,15H,4-5,9-10,12H2,1-3H3/t13-/m0/s1