[3-[[2-methylpropyl(naphthalen-1-ylcarbonyl)amino]methyl]phenyl] ethanesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC(C)C)C(=O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC(C)C)C(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C24H27NO4S/c1-4-30(27,28)29-21-12-7-9-19(15-21)17-25(16-18(2)3)24(26)23-14-8-11-20-10-5-6-13-22(20)23/h5-15,18H,4,16-17H2,1-3H3