[2-methoxy-5-[[2-methylpropyl(naphthalen-2-ylcarbonyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [2-methoxy-5-[[2-methylpropyl(naphthalen-2-ylcarbonyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [5-[[isobutyl(naphthalene-2-carbonyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-methoxy-5-[[2-methylpropyl-[2-naphthalenyl(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methylpropyl(naphthalene-2-carbonyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[isobutyl(2-naphthoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C25H29NO5S MolecularWeight: 455.56646

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CC(C)C)C(=O)C2=CC3=CC=CC=C3C=C2)OC

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CC(C)C)C(=O)C2=CC3=CC=CC=C3C=C2)OC

InChI

InChI=1S/C25H29NO5S/c1-5-32(28,29)31-24-14-19(10-13-23(24)30-4)17-26(16-18(2)3)25(27)22-12-11-20-8-6-7-9-21(20)15-22/h6-15,18H,5,16-17H2,1-4H3