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

Systemtic Name: [3-[[(4-ethylphenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(4-ethylphenyl)carbamoyl-(2-furylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[(4-ethylanilino)-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(4-ethylphenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[(4-ethylphenyl)carbamoyl-(2-furfuryl)amino]methyl]phenyl] ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5S/c1-3-17-9-11-19(12-10-17)23-22(25)24(16-21-8-5-13-28-21)15-18-6-4-7-20(14-18)29-30(2,26)27/h4-14H,3,15-16H2,1-2H3,(H,23,25)