[4-[[(3-methoxyphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(3-methoxyphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(3-methoxyphenyl)carbamoyl-(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(3-methoxyanilino)-oxomethyl]-(2-oxolanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(3-methoxyphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(3-methoxyphenyl)carbamoyl-(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)N(CC2CCCO2)CC3=CC=C(C=C3)OS(=O)(=O)C

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)N(CC2CCCO2)CC3=CC=C(C=C3)OS(=O)(=O)C

InChI

InChI=1S/C21H26N2O6S/c1-27-19-6-3-5-17(13-19)22-21(24)23(15-20-7-4-12-28-20)14-16-8-10-18(11-9-16)29-30(2,25)26/h3,5-6,8-11,13,20H,4,7,12,14-15H2,1-2H3,(H,22,24)