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

Systemtic Name: [4-[[(2-ethylphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(2-ethylphenyl)carbamoyl-(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(2-ethylanilino)-oxomethyl]-(2-oxolanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(2-ethylphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(2-ethylphenyl)carbamoyl-(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)N(CC2CCCO2)CC3=CC=C(C=C3)OS(=O)(=O)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)N(CC2CCCO2)CC3=CC=C(C=C3)OS(=O)(=O)C

InChI

InChI=1S/C22H28N2O5S/c1-3-18-7-4-5-9-21(18)23-22(25)24(16-20-8-6-14-28-20)15-17-10-12-19(13-11-17)29-30(2,26)27/h4-5,7,9-13,20H,3,6,8,14-16H2,1-2H3,(H,23,25)