[3-[[[(2S)-butan-2-yl]-naphthalen-1-ylcarbonyl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[[(2S)-butan-2-yl]-naphthalen-1-ylcarbonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[[(1S)-1-methylpropyl]-(naphthalene-1-carbonyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(2S)-butan-2-yl]-[1-naphthalenyl(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[[(2S)-butan-2-yl]-(naphthalene-1-carbonyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[[(1S)-1-methylpropyl]-(1-naphthoyl)amino]methyl]phenyl] ester Formula: C24H27NO4S MolecularWeight: 425.54048

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)CC)C(=O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC[C@H](C)N(CC1=CC(=CC=C1)OS(=O)(=O)CC)C(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C24H27NO4S/c1-4-18(3)25(17-19-10-8-13-21(16-19)29-30(27,28)5-2)24(26)23-15-9-12-20-11-6-7-14-22(20)23/h6-16,18H,4-5,17H2,1-3H3/t18-/m0/s1