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

Systemtic Name: [3-[[[(2S)-butan-2-yl]-naphthalen-2-ylcarbonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[[(1S)-1-methylpropyl]-(naphthalene-2-carbonyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(2S)-butan-2-yl]-[2-naphthalenyl(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[[(2S)-butan-2-yl]-(naphthalene-2-carbonyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[[(1S)-1-methylpropyl]-(2-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=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC[C@H](C)N(CC1=CC(=CC=C1)OS(=O)(=O)CC)C(=O)C2=CC3=CC=CC=C3C=C2

InChI

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