[4-[[naphthalen-2-ylcarbonyl(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[naphthalen-2-ylcarbonyl(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[naphthalene-2-carbonyl(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[2-naphthalenyl(oxo)methyl]-(2-oxolanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[naphthalene-2-carbonyl(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[2-naphthoyl(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C24H25NO5S MolecularWeight: 439.524

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2CCCO2)C(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2CCCO2)C(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H25NO5S/c1-31(27,28)30-22-12-8-18(9-13-22)16-25(17-23-7-4-14-29-23)24(26)21-11-10-19-5-2-3-6-20(19)15-21/h2-3,5-6,8-13,15,23H,4,7,14,16-17H2,1H3