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

Systemtic Name: [4-[[furan-2-ylmethyl-[(3-methylphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[2-furylmethyl(m-tolylcarbamoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[2-furanylmethyl-[(3-methylanilino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[furan-2-ylmethyl-[(3-methylphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[2-furfuryl(m-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=C(C=C1)CN(CC2=CC=CO2)C(=O)NC3=CC=CC(=C3)C

Isomeric SMILES

CCS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CO2)C(=O)NC3=CC=CC(=C3)C

InChI

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