[4-[[(2-ethoxyphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(2-ethoxyphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(2-ethoxyphenyl)carbamoyl-(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(2-ethoxyanilino)-oxomethyl]-(2-oxolanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(2-ethoxyphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[o-phenetylcarbamoyl(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)N(CC2CCCO2)CC3=CC=C(C=C3)OS(=O)(=O)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)N(CC2CCCO2)CC3=CC=C(C=C3)OS(=O)(=O)C

InChI

InChI=1S/C22H28N2O6S/c1-3-28-21-9-5-4-8-20(21)23-22(25)24(16-19-7-6-14-29-19)15-17-10-12-18(13-11-17)30-31(2,26)27/h4-5,8-13,19H,3,6-7,14-16H2,1-2H3,(H,23,25)