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

Systemtic Name: [3-[[furan-2-ylmethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[2-furylmethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-furanylmethyl-[(4-methoxyanilino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[2-furfuryl-[(4-methoxyphenyl)carbamoyl]amino]methyl]phenyl] ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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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=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O6S/c1-3-31(26,27)30-20-7-4-6-17(14-20)15-24(16-21-8-5-13-29-21)22(25)23-18-9-11-19(28-2)12-10-18/h4-14H,3,15-16H2,1-2H3,(H,23,25)