[3-[[(4-ethylphenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[(4-ethylphenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(4-ethylbenzoyl)-(2-furylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[(4-ethylphenyl)-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(4-ethylbenzoyl)-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[(4-ethylbenzoyl)-(2-furfuryl)amino]methyl]phenyl] ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C)CC3=CC=CO3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C)CC3=CC=CO3

InChI

InChI=1S/C22H23NO5S/c1-3-17-9-11-19(12-10-17)22(24)23(16-21-8-5-13-27-21)15-18-6-4-7-20(14-18)28-29(2,25)26/h4-14H,3,15-16H2,1-2H3