[3-[[furan-2-ylmethyl-[(2-methylphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[furan-2-ylmethyl-[(2-methylphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[2-furylmethyl(o-tolylcarbamoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-furanylmethyl-[(2-methylanilino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl-[(2-methylphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[2-furfuryl(o-tolylcarbamoyl)amino]methyl]phenyl] ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)NC3=CC=CC=C3C

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)NC3=CC=CC=C3C

InChI

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